SCHEMBL2469953

SCHEMBL2469953

Cc1ccc(C(N)=O)nn1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NNMT P40261 1/20 0.59
GABRA1 P14867 1/20 0.40
PARP1 P09874 2/20 0.39
P2RX7 Q99572 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.36
PIM1 P11309 1/20 0.36
IKBKB O14920 1/20 0.36
LIMK1 P53667 1/20 0.36
LMNA P02545 1/20 0.35
SIRT3 Q9NTG7 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
APLNR P35414 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
TSHR P16473 1/20 0.34
MC4R P32245 1/20 0.34
ADRA1A P35348 1/20 0.34
MC3R P41968 1/20 0.34
SIRT6 Q8N6T7 1/20 0.34
POLB P06746 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
SCHEMBL3174330 0.85 NNMT (0.67) NNMTPARP1KMT2APIM1LMNA
SCHEMBL3889503 0.79 KDM4E (0.42) NNMTKMT2ALMNATDP1APLNR
SCHEMBL4927935 0.79 KCNJ1 (0.44) NNMTP2RX7KMT2AAPLNR
SCHEMBL18735817 0.77 NOS1 (0.36) NNMTLMNAAPLNR
SCHEMBL30252481 0.77 P2RX7 (0.59) NNMTP2RX7KMT2AADORA3POLB
SCHEMBL280264 0.77 P2RX7 (0.59) NNMTP2RX7KMT2AADORA3POLB
SCHEMBL3174349 0.76 NNMT (0.57) NNMTPARP1KMT2APIM1LMNA
SCHEMBL30509853 0.74 NNMT (0.55) NNMTPARP1KMT2APIM1LMNA
SCHEMBL3153355 0.74 NNMT (0.55) NNMTGABRA1KMT2APIM1LMNA
SCHEMBL6873451 0.74 APLNR (0.36) NNMTKMT2ALMNAAPLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10383871-B2 Azetidine derivatives VERNALIS (R&D) LTD. (GB) 2019-08-20 US claimed
US-20170196864-A1 Azetidine Derivatives VERNALIS DEVELOPMENT LIMITED (GB) 2017-07-13 US claimed
US-9475800-B2 Azetidine derivatives VERNALIS (R&D) LTD. (GB) 2016-10-25 US claimed
US-9440956-B2 Indole, indazole and benzimidazole arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2016-09-13 US claimed
US-20150183769-A1 Azetidine Derivatives VERNALIS DEVELOPMENT LIMITED (GB) 2015-07-02 US claimed
US-9006269-B2 Azetidine derivatives VERNALIS (R&D) LTD. (GB) 2015-04-14 US claimed
EP-2445897-B1 NOVEL INDAZOLE ARYLAMIDES AS P2X3 AND/OR P2X2/3 ANTAGONISTS HOFFMANN LA ROCHE (CH) 2014-03-19 EP claimed
US-20130331371-A1 Azetidine Derivatives VERNALIS (R&D) LTD. (GB) 2013-12-12 US claimed
US-20130267529-A1 INDOLE, INDAZOLE AND BENZIMIDAZOLE ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS DILLON MICHAEL PATRICK (US) 2013-10-10 US claimed
US-8476457-B2 Indole, indazole and benzimidazole arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2013-07-02 US claimed
JP-2007500717-A 2007-01-18 JP claimed
WO-2007005763-A2 COMBINATION OF A RENIN INHIBITOR AND AN INSULIN SECRETION ENHANCER OR AN INSULIN SENSITIZER NOVARTIS AG (CH) 2007-01-11 WO claimed
WO-2006086445-A2 COMBINATION THERAPY XENON PHARMACEUTICALS INC. (CA) 2006-08-17 WO claimed
US-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors ASTEX TECHNOLOGY, INC. (GB) 2006-06-22 US claimed
EP-1648874-A2 PIPERAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2006-04-26 EP claimed
JP-2006500348-A 2006-01-05 JP claimed
EP-1534685-A1 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS CYCLIN DEPENDENT KINASES (CDK) INHIBITORS Astex Technology Limited (GB) 2005-06-01 EP claimed
US-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents XENON PHARMACEUTICALS INC. (CA) 2005-03-24 US claimed
WO-2005011655-A2 PYRIDAZINE DERIVATIVES AND THEIR USE AS THERAPEUTIC AGENTS XENON PHARMACEUTICALS INC. (CA) 2005-02-10 WO claimed
WO-2004014864-A1 1H-INDAZOLE-3-CARBOXAMIDE COMPOUNDS AS CYCLIN DEPENDENT KINASES (CDK) INHIBITORS ASTEX TECHNOLOGY LIMITED (GB) 2004-02-19 WO claimed

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-20050065143-A1 Pyridazine derivatives and their use as therapeutic agents PRDX5, SNRPD3, SNRPD2 NNMT 1951/4885GABRA1 4524/4885PARP1 818/4885
US-20130331371-A1 Azetidine Derivatives FAAH2, FAAH, APEH NNMT 3139/4885GABRA1 361/4885PARP1 434/4885
US-20150183769-A1 Azetidine Derivatives FAAH2, FAAH, APEH NNMT 3139/4885GABRA1 361/4885PARP1 434/4885
US-20170196864-A1 Azetidine Derivatives FAAH2, FAAH, APEH NNMT 3113/4885GABRA1 345/4885PARP1 433/4885
US-10383871-B2 Azetidine derivatives FAAH2, FAAH, APEH NNMT 3113/4885GABRA1 345/4885PARP1 433/4885
US-20060135589-A1 1h-Indazole-3-carboxamide compounds as cyclin dependent kinase (cdk) inhibitors CCNC, CDK1, CDK7 NNMT 338/4885GABRA1 2412/4885PARP1 2337/4885
US-20130267529-A1 INDOLE, INDAZOLE AND BENZIMIDAZOLE ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS P2RX3, P2RX2, P2RX5 NNMT 3293/4885GABRA1 569/4885PARP1 2133/4885

“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.