In Silico Medicine’s Chemistry42 platform has led to the discovery of a novel PHD inhibitor for the treatment of anemia. The inhibitor has shown promising results in treating anemia induced by chronic kidney disease (CKD), with potential global implications. Utilizing structure-based drug discovery and AI-generated candidates, the lead compound 15 demonstrated favorable in vitro/in vivo ADMET profile and promising pharmacokinetic properties in multiple species. The novel molecule holds potential for further investigations and could offer an innovative solution in treating anemia globally.