{"id":"W4409414898","doi":"10.1021/acschembio.5c00097","title":"Repurposing of the RIPK1-Selective Benzo[1,4]oxazepin-4-one Scaffold for the Development of a Type III LIMK1/2 Inhibitor","year":2025,"lang":"en","type":"article","venue":"ACS Chemical Biology","topic":"Cytokine Signaling Pathways and Interactions","field":"Medicine","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Structural Genomics Consortium; Deutschen Konsortium für Translationale Krebsforschung; Janssen Biotech; Innovative Medicines Initiative; Genome Canada; Bayer; Deutsche Forschungsgemeinschaft; Deutsches Krebsforschungszentrum; Bristol-Myers Squibb; Takeda Pharmaceutical Company; Genentech; Deutsche Krebshilfe; Pfizer; Boehringer Ingelheim","keywords":"Repurposing; Drug repositioning; Scaffold; Chemistry; Biology; Pharmacology; Computer science; Ecology; Drug","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001258509,0.0003310302,0.0002660704,0.0001881198,0.00008958036,0.0002227563,0.0002596393,0.0001971689,0.002516763],"category_scores_gemma":[0.0001141504,0.0001057631,0.0002380548,0.0001410799,0.0001336135,0.000197652,0.000206542,0.0004022482,0.0006907962],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001839304,"about_ca_system_score_gemma":0.000233869,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003053606,"about_ca_topic_score_gemma":0.000862199,"domain_scores_codex":[0.999946,0.000006890959,0.000002622691,0.00001146226,0.00001336184,0.00001971308],"domain_scores_gemma":[0.9999743,0.000003586338,0.000006764334,0.00000235061,0.000004396672,0.000008620088],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.000266004,0.0001082968,0.0001726322,0.0002989948,0.0000257562,0.0003973187,0.0000430774,0.001499612,0.9821401,0.0009012601,0.0007215852,0.01342528],"study_design_scores_gemma":[0.0002822488,0.002704893,0.002249641,0.00004297618,0.0000585675,0.000745359,0.00004339912,0.004173884,0.9681426,0.0003996169,0.02111717,0.00003968428],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9369089,0.008834206,0.03442889,0.0007783422,0.0001848743,0.0004480518,0.001504736,0.0006075968,0.01630435],"genre_scores_gemma":[0.9760509,0.00510815,0.0100507,0.0003257513,0.00002710746,0.0001036274,0.0007962941,0.00003485118,0.007502617],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002516763,"threshold_uncertainty_score":0.008419454,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03025055239345765,"score_gpt":0.3115635095631918,"score_spread":0.2813129571697342,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}