SCHEMBL1020140

SCHEMBL1020140

CC(C)(C)OC(=O)Nc1cnccc1C=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP17A1 P05093 4/20 0.47
NAMPT P43490 2/20 0.45
ATR Q13535 1/20 0.44
RAB9A P51151 1/20 0.44
METAP1 P53582 1/20 0.39
IDO1 P14902 1/20 0.38
BRS3 P32247 1/20 0.37
LATS1 O95835 2/20 0.36
BRD9 Q9H8M2 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29957148 1.00 CYP17A1 (0.47) CYP17A1NAMPTATRRAB9AMETAP1
SCHEMBL1197794 0.89 CYP17A1 (0.47) CYP17A1NAMPTATRRAB9AMETAP1
SCHEMBL29957527 0.89 CYP17A1 (0.47) CYP17A1NAMPTATRRAB9AMETAP1
SCHEMBL4725743 0.85 NAMPT (0.43) CYP17A1NAMPTATRRAB9AMETAP1
SCHEMBL3537542 0.84 NAMPT (0.42) CYP17A1NAMPTATRRAB9AMETAP1
SCHEMBL3537539 0.84 NAMPT (0.42) CYP17A1NAMPTATRRAB9AMETAP1
SCHEMBL14291975 0.84 CYP17A1 (0.42) CYP17A1NAMPTATRRAB9AMETAP1
SCHEMBL6604919 0.84 CYP17A1 (0.38) CYP17A1NAMPTATRRAB9AMETAP1
SCHEMBL18522430 0.83 NAMPT (0.50) CYP17A1NAMPTATRRAB9AMETAP1
SCHEMBL4075130 0.83 CCNC (0.46) CYP17A1NAMPTATRRAB9AMETAP1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 79 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240197899-A1 2-AMINO-4-CARBOXAMIDE-BENZAZEPINE IMMUNOCONJUGATES, AND USES THEREOF BOLT BIOTHERAPEUTICS, INC. (US) 2024-06-20 US disclosed
CN-117940168-A 2-Amino-4-carboxamide-benzazepine immunoconjugates and uses thereof 博尔特生物治疗药物有限公司 2024-04-26 CN disclosed
EP-4313161-A1 2-AMINO-4-CARBOXAMIDE-BENZAZEPINE IMMUNOCONJUGATES, AND USES THEREOF Bolt Biotherapeutics, Inc. (US) 2024-02-07 EP disclosed
US-20220267349-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2022-08-25 US disclosed
EP-4034239-A1 HETEROCYCLIC COMPOUNDS F. Hoffmann-La Roche AG (CH) 2022-08-03 EP disclosed
CN-114401969-A Heterocyclic compounds 豪夫迈·罗氏有限公司 2022-04-26 CN disclosed
US-20210107921-A1 HETEROCYCLIC COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2021-04-15 US disclosed
WO-2021058416-A1 HETEROCYCLIC COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2021-04-01 WO disclosed
US-10907197-B2 Probes for imaging huntingtin protein CHDI FOUNDATION, INC. (US) 2021-02-02 US disclosed
EP-3190888-B1 PROBES FOR IMAGING HUNTINGTIN PROTEIN CHDI FOUNDATION INC (US) 2020-06-10 EP disclosed
US-20060135511-A1 Benzodiazepine cgrp receptor antagonists MERCK SHARP & DOHME LLC 2006-06-22 US disclosed
EP-1641423-A2 BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2006-04-05 EP disclosed
US-20050256098-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2005-11-17 US disclosed
US-6953790-B2 CGRP receptor antagonists MERCK & CO., INC. (US) 2005-10-11 US disclosed
WO-2005013894-A2 BENZODIAZEPINE CGRP RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2005-02-17 WO disclosed
US-20040229861-A1 CGRP receptor antagonists MERCK SHARP & DOHME LLC 2004-11-18 US disclosed
EP-1226119-A4 TYROSINE KINASE INHIBITORS MERCK & CO INC (US) 2003-04-09 EP disclosed
US-6479512-B1 TO TREAT TYROSINE KINASE-DEPENDENT DISEASES AND CONDITIONS, SUCH AS ANGIOGENESIS, CANCER, TUMOR GROWTH, ATHEROSCLEROSIS, AGE RELATED MACULAR DEGENERATION, DIABETIC RETINOPATHY, INFLAMMATORY DISEASES, ETC. MERCK & CO., INC. 2002-11-12 US disclosed
EP-1226119-A2 TYROSINE KINASE INHIBITORS MERCK & CO. INC. (US) 2002-07-31 EP disclosed
WO-2001028993-A2 TYROSINE KINASE INHIBITORS MERCK & CO. INC. (US) 2001-04-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060135511-A1 Benzodiazepine cgrp receptor antagonists NPY1R, NPY2R, CCKBR CYP17A1 2652/4885NAMPT 4387/4885ATR 3640/4885
US-20210107921-A1 HETEROCYCLIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NQO1, CCNY CYP17A1 2708/4885NAMPT 998/4885ATR 974/4885
US-20040229861-A1 CGRP receptor antagonists CCKBR, CCKAR, CALCRL CYP17A1 3607/4885NAMPT 3684/4885ATR 3941/4885
US-10907197-B2 Probes for imaging huntingtin protein HTT, HYPK, FABP7 CYP17A1 3704/4885NAMPT 2774/4885ATR 4673/4885
US-20240197899-A1 2-AMINO-4-CARBOXAMIDE-BENZAZEPINE IMMUNOCONJUGATES, AND USES THEREOF AADAC, BRD4, IDO2 CYP17A1 2587/4885NAMPT 1849/4885ATR 4178/4885
US-20220267349-A1 HETEROCYCLIC COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, NQO1, CCNY CYP17A1 2708/4885NAMPT 998/4885ATR 974/4885
US-20050256098-A1 CGRP receptor antagonists CCKBR, BDKRB1, BDKRB2 CYP17A1 3781/4885NAMPT 3101/4885ATR 3402/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.