SCHEMBL27405

SCHEMBL27405

Cc1c(C(=O)O)cnn1-c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.78
SLC9A1 P19634 1/20 0.66
SLC9A2 Q9UBY0 1/20 0.66
PTGS2 P35354 2/20 0.64
NR4A3 Q92570 1/20 0.64
NPC1 O15118 9/20 0.62
RAB9A P51151 9/20 0.62
HPGD P15428 2/20 0.62
PKM P14618 2/20 0.62
MAPT P10636 3/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
NFKB1 P19838 1/20 0.61
NFKB2 Q00653 1/20 0.61
RELA Q04206 1/20 0.61
L3MBTL1 Q9Y468 2/20 0.59
POLB P06746 1/20 0.59
MEN1 O00255 1/20 0.58
KMT2A Q03164 1/20 0.58
NAMPT P43490 1/20 0.58

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
SCHEMBL6052256 0.88 MAPK1 (0.61) MAPK1SLC9A1SLC9A2PTGS2NR4A3
SCHEMBL2544046 0.88 MAPK1 (1.00) MAPK1SLC9A1SLC9A2PTGS2NPC1
SCHEMBL2926133 0.86 MAPK1 (0.73) MAPK1SLC9A1SLC9A2PTGS2NPC1
SCHEMBL27692438 0.86 HSD11B1 (0.62) MAPK1SLC9A1SLC9A2PTGS2NR4A3
SCHEMBL6319617 0.86 MAPK1 (0.59) MAPK1SLC9A1SLC9A2PTGS2NR4A3
SCHEMBL3517559 0.86 MAPK1 (0.73) MAPK1SLC9A1SLC9A2PTGS2NPC1
SCHEMBL15168083 0.85 MAPK1 (0.59) MAPK1SLC9A1SLC9A2PTGS2NPC1
SCHEMBL1420155 0.85 KMT2A (0.61) MAPK1SLC9A1SLC9A2PTGS2NPC1
SCHEMBL13505849 0.85 MAPK1 (0.58) MAPK1SLC9A1SLC9A2PTGS2NR4A3
SCHEMBL6052319 0.85 MAPK1 (0.58) MAPK1SLC9A1SLC9A2PTGS2NR4A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2742043-B1 PYRIDO-PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2016-10-26 EP claimed
US-9283225-B2 Pyrido-pyrimidine derivatives MERCK PATENT GMBH (DE) 2016-03-15 US claimed
US-20140228379-A1 Pyrido-Pyrimidine Derivatives MERCK PATENT GMBH (DE) 2014-08-14 US claimed
EP-2742043-A1 PYRIDO-PYRIMIDINE DERIVATIVES Merck Patent GmbH (DE) 2014-06-18 EP claimed
WO-2013022519-A1 PYRIDO-PYRIMIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-02-14 WO claimed
JP-4829451-B2 2011-12-07 JP claimed
US-7842696-B2 Piperazine derivatives as inhibitors of stearoyl-CoA desaturase FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-30 US claimed
US-7709478-B2 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2010-05-04 US claimed
EP-1451160-B1 PYRAZOLE-AMIDES FOR USE IN THE TREATMENT OF PAIN ICAGEN INC (US) 2010-01-13 EP claimed
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2009-09-03 US claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
US-20040225013-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-11-11 US claimed
US-6759412-B2 FOR PRODUCING DRUGS USED FOR THERAPY OF CARDIOVASCULAR DISEASES, STABLE OR UNSTABLE ANGINA PECTORIS, CORONARY HEART DISEASE, PRINZMETAL ANGINA, ACUTE CORONARY SYNDROME, HEART FAILURE, MYOCARDIAL INFARCTION, STROKE, THROMBOSIS AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-07-06 US claimed
EP-1362027-A2 ACYLATED 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENYL AMINES AND THEIR USE AS PHARMACEUTICAL Aventis Pharma Deutschland GmbH (DE) 2003-11-19 EP claimed
US-6599918-B2 Inhibit Factor Xa Factor IIa (thrombin) AVENTIS PHARMACEUTICALS INC. 2003-07-29 US claimed
US-20030008915-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2003-01-09 US claimed
US-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans AVENTIS PHARMACEUTICALS INC. 2002-12-19 US claimed
WO-2002064546-A2 ACYLATED 6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTENYL AMINES AND THEIR USE AS PHARMACEUTICAL AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2002-08-22 WO claimed
EP-1222182-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS Aventis Pharmaceuticals Inc. (US) 2002-07-17 EP claimed
WO-2001014358-A2 SUBSTITUTED (AMINOIMINOMETHYL OR AMINOMETHYL) DIHYDROBENZOFURANS AND BENOZOPYRANS AVENTIS PHARMACEUTICALS INC. (DE) 2001-03-01 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 (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-20140228379-A1 Pyrido-Pyrimidine Derivatives DPYD, CDK2, CDK1 MAPK1 890/4885SLC9A1 2580/4885SLC9A2 3922/4885
US-20030008915-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents VEGFA, NR1H2, EDNRA MAPK1 1482/4885SLC9A1 3209/4885SLC9A2 4048/4885
US-20040225013-A1 Acylated 6,7,8,9-tetrahydro-5H-benzocycloheptenyl amines and their use as pharmaceutical agents VEGFA, NR1H2, EDNRA MAPK1 1482/4885SLC9A1 3209/4885SLC9A2 4048/4885
US-20090221583-A1 NOVEL PIPERAZINE DERIVATIVES AS INHIBITORS OF STEAROYL-CoA DESATURASE SCD, SCD5, FADS2 MAPK1 4118/4885SLC9A1 4800/4885SLC9A2 4693/4885
US-20020193410-A1 Substituted (aminoiminomethyl or aminomethyl) dihydrobenzofurans and benzopyrans F2, TFPI, F3 MAPK1 4156/4885SLC9A1 3314/4885SLC9A2 2916/4885

“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.