SCHEMBL10112979

SCHEMBL10112979

COc1cc(CO)cnc1I

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
FYN P06241 2/20 0.38
PDE4A P27815 1/20 0.37
PDE4B Q07343 1/20 0.37
PDE4C Q08493 1/20 0.37
PDE4D Q08499 1/20 0.37
DPP4 P27487 1/20 0.36
IRAK4 Q9NWZ3 2/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
CBFB Q13951 2/20 0.35
TNKS2 Q9H2K2 1/20 0.35
SYK P43405 1/20 0.34
CA2 P00918 1/20 0.34
PTGS2 P35354 1/20 0.34

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
SCHEMBL18703850 0.81 LOX (0.41) HSD17B10TSHRDPP4
SCHEMBL26986580 0.81 NPC1 (0.40) NPC1POLBRAB9AHSD17B10TSHR
SCHEMBL26986365 0.80 GAA (0.51) POLBHSD17B10ALOX15TSHRCYP11B1
SCHEMBL21499282 0.79 NPC1 (0.48) NPC1POLBRAB9AHSD17B10ALOX15
SCHEMBL19330511 0.79 NPC1 (0.48) NPC1POLBRAB9AHSD17B10ALOX15
SCHEMBL2746570 0.78 NPC1 (0.54) NPC1POLBRAB9AHSD17B10ALOX15
SCHEMBL26986557 0.77 PIK3CG (0.39) NPC1POLBRAB9ACA2PTGS2
SCHEMBL13574493 0.76 RECQL (0.34)
SCHEMBL12248184 0.74 TSHR (0.46) NPC1POLBRAB9AHSD17B10ALOX15
SCHEMBL18975037 0.74 NPC1 (0.43) NPC1POLBRAB9AHSD17B10ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260000692-A1 Substituted N-(Pyridin-2-yl)Acetamide Derivatives as CDK12/13 Inhibitors AURIGENE ONCOLOGY LIMITED (IN) 2026-01-01 US disclosed
CN-119562812-A Substituted N- (pyridin-2-yl) acetamide derivatives as CDK12/13 inhibitors 奥里吉恩肿瘤学有限公司 2025-03-04 CN disclosed
WO-2024009232-A1 SUBSTITUTED N-(PYRIDIN-2-YL)ACETAMIDE DERIVATIVES AS CDK12/13 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2024-01-11 WO disclosed
WO-2024009232-A1 SUBSTITUTED N-(PYRIDIN-2-YL)ACETAMIDE DERIVATIVES AS CDK12/13 INHIBITORS AURIGENE ONCOLOGY LIMITED (IN) 2024-01-11 WO disclosed
EP-3359154-B1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2021-05-26 EP disclosed
EP-3359154-B1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2021-05-26 EP disclosed
US-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2020-02-13 US disclosed
US-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2020-02-13 US disclosed
US-10450300-B2 Wnt signaling pathway inhibitors and therapeutic applications thereof Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2019-10-22 US disclosed
US-10450300-B2 Wnt signaling pathway inhibitors and therapeutic applications thereof Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2019-10-22 US disclosed
WO-2017062688-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2017-04-13 WO disclosed
WO-2017062688-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF Suzhou Yunxuan Yiyao Keji Youxian Gongsi (CN) 2017-04-13 WO disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8569336-B2 Compounds for the treatment of inflammatory disorders TONG LING (US) 2013-10-29 US disclosed
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-8541572-B2 Compounds for the treatment of inflammatory disorders MERCK SHARP & DOHME CORP. (US) 2013-09-24 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TONG LING (US) 2012-01-19 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 US disclosed
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS MERCK SHARP & DOHME CORP. 2012-01-12 US 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 (5 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-10450300-B2 Wnt signaling pathway inhibitors and therapeutic applications thereof WNT1, WNT3A, CTNNB1 NPC1 478/4885POLB 3111/4885RAB9A 1144/4885
US-20200048223-A1 WNT SIGNALING PATHWAY INHIBITORS AND THERAPEUTIC APPLICATIONS THEREOF WNT1, WNT3A, CTNNB1 NPC1 478/4885POLB 3111/4885RAB9A 1144/4885
US-20260000692-A1 Substituted N-(Pyridin-2-yl)Acetamide Derivatives as CDK12/13 Inhibitors CDK1, CDK12, CDK11A NPC1 3807/4885POLB 370/4885RAB9A 3472/4885
US-20120015926-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 NPC1 519/4885POLB 2097/4885RAB9A 2003/4885
US-20120010181-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS TNF, ADAMTS1, ADAMTS7 NPC1 408/4885POLB 2043/4885RAB9A 2120/4885

“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.