SCHEMBL2409093

SCHEMBL2409093

COc1ncc(N)cc1-c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.58
CASP1 P29466 1/20 0.58
SQOR Q9Y6N5 2/20 0.46
KMT2A Q03164 1/20 0.42
FYN P06241 2/20 0.42
AURKA O14965 1/20 0.41
TTK P33981 1/20 0.41
AURKB Q96GD4 1/20 0.41
INCENP Q9NQS7 1/20 0.41
ADORA1 P30542 2/20 0.41
ADORA2A P29274 1/20 0.41
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
CTSA P10619 2/20 0.41
DHODH Q02127 1/20 0.41
NPC1 O15118 2/20 0.41
ALDH1A1 P00352 2/20 0.41
RAB9A P51151 2/20 0.41
STAT1 P42224 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL31165734 0.85 AURKA (0.59) MAPTCASP1SQORFYNAURKA
SCHEMBL16043752 0.83 DHFR (0.49) MAPTCASP1KMT2AFYNADORA1
SCHEMBL23364099 0.81 DHFR (0.44) MAPTCASP1SQORKMT2AFYN
SCHEMBL17703511 0.81 SQOR (0.51) MAPTCASP1SQORKMT2ACTSA
SCHEMBL2403886 0.79 CYP19A1 (0.52) MAPTSQORKMT2ARAB9ASMN1; SMN2
SCHEMBL14911051 0.79 NPC1 (0.43) MAPTCASP1KMT2AALOX5APFEN1
SCHEMBL2407456 0.79 ADORA2A (0.58) KMT2AFYNADORA1ADORA2AALDH1A1
SCHEMBL2404173 0.78 TDO2 (0.46) KMT2AADORA1ADORA2ATDO2
SCHEMBL3370530 0.78 FYN (0.47) MAPTCASP1KMT2AFYNAURKA
SCHEMBL20764961 0.77 MAPT (0.56) MAPTCASP1SQORKMT2AFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9573887-B2 Naphthalene derivative DAITO CHEMIX CORPORATION (JP) 2017-02-21 US disclosed
EP-2599771-B1 NAPHTHALENE DERIVATIVE DAITO CHEMIX CORP (JP) 2016-09-14 EP disclosed
US-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2014-01-02 US disclosed
US-8536165-B2 Azabiphenylaminobenzoic acid derivatives as DHODH inhibitors ALMIRALL, S.A. (ES) 2013-09-17 US disclosed
US-8536165-B2 Azabiphenylaminobenzoic acid derivatives as DHODH inhibitors ALMIRALL, S.A. (ES) 2013-09-17 US disclosed
US-8536165-B2 Azabiphenylaminobenzoic acid derivatives as DHODH inhibitors ALMIRALL, S.A. (ES) 2013-09-17 US disclosed
US-20130184241-A1 Naphthalene Derivative KYOTO UNIVERSITY (JP) 2013-07-18 US disclosed
EP-2599771-A1 NAPHTHALENE DERIVATIVE Daito Chemix Corporation (JP) 2013-06-05 EP disclosed
EP-2178840-B1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL SA (ES) 2011-12-14 EP disclosed
EP-2178840-B1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL SA (ES) 2011-12-14 EP disclosed
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2011-09-01 US disclosed
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2011-09-01 US disclosed
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2011-09-01 US disclosed
EP-2178840-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS Almirall, S.A. (ES) 2010-04-28 EP disclosed
EP-2100881-A1 Pyrimidyl- or pyridinylaminobenzoic acid derivatives Laboratorios Almirall, S.A. (ES) 2009-09-16 EP disclosed
EP-2100881-A1 Pyrimidyl- or pyridinylaminobenzoic acid derivatives Laboratorios Almirall, S.A. (ES) 2009-09-16 EP disclosed
WO-2009021696-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2009-02-19 WO disclosed
EP-1794135-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-06-13 EP disclosed
WO-2006037117-A1 SUBSTITUTED HETEROCYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-04-06 WO disclosed
US-20060069110-A1 Substituted heterocyclic compounds and methods of use AMGEN INC. 2006-03-30 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 (4 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-20130184241-A1 Naphthalene Derivative VCP, NOC2L, VAT1 MAPT 121/4885CASP1 1708/4885SQOR 362/4885
US-20060069110-A1 Substituted heterocyclic compounds and methods of use MAPT, MYLK2, IAPP MAPT 1/4885CASP1 165/4885SQOR 2807/4885
US-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD MAPT 3751/4885CASP1 3942/4885SQOR 257/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD MAPT 3751/4885CASP1 3942/4885SQOR 257/4885

“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.