SCHEMBL1503032

SCHEMBL1503032

Cc1ccnc2[nH]c(=O)[nH]c12

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.48
DAO P14920 2/20 0.43
ACHE P22303 1/20 0.41
GDA Q9Y2T3 1/20 0.41
BRAF P15056 3/20 0.40
AURKA O14965 1/20 0.38
DAPK3 O43293 1/20 0.38
JAK2 O60674 1/20 0.38
MAP4K4 O95819 1/20 0.38
PAK4 O96013 1/20 0.38
ABL1 P00519 1/20 0.38
LCK P06239 1/20 0.38
FYN P06241 1/20 0.38
CSF1R P07333 1/20 0.38
RET P07949 1/20 0.38
IGF1R P08069 1/20 0.38
FLT1 P17948 1/20 0.38
LTK P29376 1/20 0.38
KDR P35968 1/20 0.38
FLT3 P36888 1/20 0.38

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
SCHEMBL8483100 0.84 DAO (0.61) DAOAURKA
SCHEMBL17365232 0.77 BRD4 (0.46) BRD4DAOACHEGDABRAF
SCHEMBL3254704 0.77 AURKA (0.46) ACHEGDAAURKADAPK3JAK2
SCHEMBL19876250 0.76 DAO (0.72) BRD4DAOACHEGDABRAF
SCHEMBL30663486 0.76 DAO (0.72) BRD4DAOACHEGDABRAF
SCHEMBL23612486 0.76 BRD4 (0.44) BRD4DAOACHEGDABRAF
SCHEMBL30663492 0.76 DAO (0.72) BRD4DAOACHEGDABRAF
SCHEMBL16919105 0.76 BRD4 (0.44) BRD4DAOACHEGDABRAF
SCHEMBL21895410 0.76 AURKA (0.45) BRD4DAOACHEGDABRAF
SCHEMBL19876224 0.76 DAO (0.72) BRD4DAOACHEGDABRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2023-07-20 US disclosed
US-20230141101-A1 PDE4 INHIBITOR COMPOUND AND MEDICAL USE THEREOF SUZHOU LONGBOTAI PHARMACEUTICALS CO., LTD. (CN) 2023-05-11 US disclosed
US-20220389029-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-12-08 US disclosed
US-20220298174-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI JEMINCARE PHARMACEUTICALS CO., LTD (CN) 2022-09-22 US disclosed
US-11427580-B2 6-azaindole compounds BRISTOL-MYERS SQUIBB COMPANY (US) 2022-08-30 US disclosed
EP-4011886-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Jemincare Pharmaceuticals Co., Ltd. (CN) 2022-06-15 EP disclosed
US-20210253593-A1 SUBSTITUTED INDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-08-19 US disclosed
WO-2021052499-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海济煜医药科技有限公司 2021-03-25 WO disclosed
US-20210087174-A1 ARYL AND HETEROARYL SUBSTITUTED INDOLE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2021-03-25 US disclosed
WO-2021023154-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海济煜医药科技有限公司 2021-02-11 WO disclosed
US-9062038-B2 Heteroaryls and uses thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2015-06-23 US disclosed
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS VIBLIOME THERAPEUTICS, LLC 2014-08-14 US disclosed
US-20130267563-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-10-10 US disclosed
US-20130165464-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165472-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-7951819-B2 Imidazo[4, 5-B]pyridin-2-one and oxazolo[4, 5-B] pyridin-2-one compounds and analogs thereof as cancer therapeutic compounds CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2011-05-31 US disclosed
WO-2011034741-A1 IMIDAZOPYRIDIN-2-ONE DERIVATIVES MERCK SHARP & DOHME CORP. (US) 2011-03-24 WO disclosed
US-20090325945-A1 IMIDAZO[4, 5-B]PYRIDIN-2-ONE AND OXAZOLO[4, 5-B]PYRIDIN-2-ONE COMPOUNDS AND ANALOGS THEREOF AS CANCER THERAPEUTIC COMPOUNDS THE INSTITUTE OF CANCER RESEARCH: ROYAL CANCER HOSPITAL (GB) 2009-12-31 US disclosed
WO-2007125330-A1 IMIDAZO[4, 5-B]PYRIDIN-2-ONE AND OXAZOLO[4, 5-B]PYRIDIN-2-ONE COMPOUNDS AND ANALOGS THEREOF AS CANCER THERAPEUTIC COMPOUNDS CANCER RESEARCH TECHNOLOGY LIMITED (GB) 2007-11-08 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 (13 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-20130165472-A1 HETEROARYLS AND USES THEREOF PIK3R4, VPS4B, PIK3C2A BRD4 153/4885DAO 4741/4885ACHE 4391/4885
US-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B BRD4 323/4885DAO 4678/4885ACHE 4224/4885
US-20220389029-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, WEE1 BRD4 839/4885DAO 4229/4885ACHE 3856/4885
US-20130267563-A1 HETEROARYLS AND USES THEREOF RICTOR, MTOR, AKT1S1 BRD4 1026/4885DAO 4040/4885ACHE 4772/4885
US-20230227472-A1 FUSED PYRIDONE COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, WEE1 BRD4 839/4885DAO 4229/4885ACHE 3856/4885
US-20220298174-A1 TETRACYCLIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF KRAS, NRAS, HRAS BRD4 3433/4885DAO 4261/4885ACHE 4680/4885
US-20140228367-A1 PREPARATION AND METHODS OF USE FOR ORTHO-ARYL 5-MEMBERED HETEROARYL-CARBOXAMIDE CONTAINING MULTI-TARGETED KINASE INHIBITORS ABL1, ERBB2, MAP3K2 BRD4 1132/4885DAO 2030/4885ACHE 4400/4885
US-20230141101-A1 PDE4 INHIBITOR COMPOUND AND MEDICAL USE THEREOF PDE4B, PDE4A, PDE12 BRD4 82/4885DAO 764/4885ACHE 858/4885
US-20210087174-A1 ARYL AND HETEROARYL SUBSTITUTED INDOLE COMPOUNDS TLR7, TLR1, TLR9 BRD4 513/4885DAO 1672/4885ACHE 3576/4885
US-20090325945-A1 IMIDAZO[4, 5-B]PYRIDIN-2-ONE AND OXAZOLO[4, 5-B]PYRIDIN-2-ONE COMPOUNDS AND ANALOGS THEREOF AS CANCER THERAPEUTIC COMPOUNDS NR2E1, NR0B1, NR2E3 BRD4 104/4885DAO 2848/4885ACHE 4815/4885
US-20130165464-A1 HETEROARYLS AND USES THEREOF PIK3C2B, PI4KB, PIK3R4 BRD4 253/4885DAO 4695/4885ACHE 4074/4885
US-20210253593-A1 SUBSTITUTED INDOLE COMPOUNDS TLR7, TLR1, HTR7 BRD4 504/4885DAO 2797/4885ACHE 3543/4885
US-11427580-B2 6-azaindole compounds TLR7, TLR9, TLR5 BRD4 959/4885DAO 1290/4885ACHE 2465/4885

“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.