SCHEMBL1574005

SCHEMBL1574005

Nc1cc2cccnc2[nH]c1=O

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.65
RIPK1 Q13546 10/20 0.53
AURKA O14965 3/20 0.47
PARP1 P09874 1/20 0.47
CASP6 P55212 2/20 0.42
CCNB2 O95067 1/20 0.42
CDK1 P06493 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNB3 Q8WWL7 1/20 0.42
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41
CDC25B P30305 1/20 0.41
RCE1 Q9Y256 1/20 0.41
TTK P33981 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
HRH4 Q9H3N8 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
Hydrochloric Acid SCHEMBL29691618 0.80 DAO (0.54) DAORIPK1AURKAPARP1CASP6
SCHEMBL671495 0.79 DAO (0.65) DAORIPK1AURKAPARP1CCNB2
SCHEMBL15528142 0.79 DAO (0.65) DAORIPK1AURKAPARP1CCNB2
SCHEMBL21226786 0.79 DAO (0.65) DAORIPK1AURKAPARP1CCNB2
SCHEMBL29756947 0.79 DAO (0.65) DAORIPK1AURKAPARP1CCNB2
SCHEMBL668758 0.79 DAO (0.65) DAORIPK1AURKAPARP1CCNB2
SCHEMBL3714541 0.79 DAO (1.00) DAORIPK1AURKAPARP1
SCHEMBL435130 0.79 DAO (0.65) DAORIPK1AURKAPARP1CCNB2
SCHEMBL7639694 0.77 RIPK1 (0.59) DAORIPK1CCNB2CDK1CCNB1
SCHEMBL1210670 0.77 DAO (0.62) DAORIPK1AURKAPARP1HRH4

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3357922-B1 2-((5-(1-(3-(METHYLSULFONYL)PROPYL)PIPERIDIN-4-YL)PYRIDIN-2-YL)AMINO)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE DERIVATIVES AND RELATED COMPOUNDS AS CDK4 INHIBITORS FOR TREATING TUMORS GUANGZHOU BEBETTER MEDICINE TECH CO LTD (CN) 2020-08-26 EP disclosed
US-9714247-B2 Multiple kinase pathway inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2017-07-25 US disclosed
US-20170107215-A1 MULTIPLE KINASE PATHWAY INHIBITORS SUMITOMO DAINIPPON PHARMA CO., LTD. (JP) 2017-04-20 US disclosed
US-9493454-B2 Multiple kinase pathway inhibitors TOLERO PHARMACEUTICALS, INC. (US) 2016-11-15 US disclosed
US-20150266870-A1 MULTIPLE KINASE PATHWAY INHIBITORS MANNKIND CORPORATION 2015-09-24 US disclosed
EP-2900668-A1 MULTIPLE KINASE PATHWAY INHIBITORS MannKind Corporation (US) 2015-08-05 EP disclosed
CN-104812756-A Multiple kinase pathway inhibitors MANNKIND CORP 2015-07-29 CN disclosed
US-8586602-B2 Derivatives of 7 alkynyl-1,8 naphthyridones, preparation method thereof and use of same in therapeutics SANOFI (FR) 2013-11-19 US disclosed
US-8470847-B2 Derivatives of 7-alkynyl-1,8-naphthyridones, preparation method thereof and use of same in therapeutics SANOFI (FR) 2013-06-25 US disclosed
US-20120238598-A1 DERIVATIVES OF 7 ALKYNYL-1,8 NAPHTHYRIDONES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2012-09-20 US disclosed
US-8263614-B2 Derivatives of 7-alkynyl-1,8-naphthyridones, preparation method thereof and use of same in therapeutics SANOFI-AVENTIS (FR) 2012-09-11 US disclosed
EP-2158201-B1 DERIVATIVES OF 7-ALKYNYL-1,8-NAPHTHYRIDONES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI AVENTIS (FR) 2011-04-13 EP disclosed
US-20100144757-A1 DERIVATIVES OF 7-ALKYNYL-1,8-NAPHTHYRIDONES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-06-10 US disclosed
US-20100144782-A1 DERIVATIVES OF 7-ALKYNYL-1,8-NAPHTHYRIDONES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2010-06-10 US disclosed
EP-2158194-A2 DERIVATIVES OF 7-ALKYNYL-1,8-NAPHTHYRIDONES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2010-03-03 EP disclosed
EP-2158201-A2 DERIVATIVES OF 7-ALKYNYL-1,8-NAPHTHYRIDONES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS Sanofi-Aventis (FR) 2010-03-03 EP disclosed
WO-2009007536-A2 DERIVATIVES OF 7-ALKYNYL-1,8-NAPHTHYRIDONES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-01-15 WO disclosed
WO-2009007535-A2 DERIVATIVES OF 7-ALKYNYL-1,8-NAPHTHYRIDONES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS SANOFI-AVENTIS (FR) 2009-01-15 WO disclosed
JP-2002338570-A METHOD FOR PRODUCING 3-AMINO-1,8-NAPHTHYRIDIN-2(1H)-ONE SUMITOMO PHARMACEUT CO LTD 2002-11-27 JP 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-20150266870-A1 MULTIPLE KINASE PATHWAY INHIBITORS MAP3K6, MAP3K2, MAP3K1 DAO 3859/4885RIPK1 157/4885AURKA 356/4885
US-20170107215-A1 MULTIPLE KINASE PATHWAY INHIBITORS MAP3K6, MAP3K2, MAP3K1 DAO 3859/4885RIPK1 157/4885AURKA 356/4885
US-20100144757-A1 DERIVATIVES OF 7-ALKYNYL-1,8-NAPHTHYRIDONES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS ALK, ABL1, SMPD1 DAO 4239/4885RIPK1 4736/4885AURKA 548/4885
US-20100144782-A1 DERIVATIVES OF 7-ALKYNYL-1,8-NAPHTHYRIDONES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS ALK, ABL1, NTPCR DAO 4433/4885RIPK1 4749/4885AURKA 553/4885
US-20120238598-A1 DERIVATIVES OF 7 ALKYNYL-1,8 NAPHTHYRIDONES, PREPARATION METHOD THEREOF AND USE OF SAME IN THERAPEUTICS FLT4, ALK, KDR DAO 4303/4885RIPK1 3718/4885AURKA 935/4885

“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.