SCHEMBL4829289

SCHEMBL4829289

COc1ccc(-c2cc(C#N)c(N)o2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.51
ALDH1A1 P00352 4/20 0.51
MAPT P10636 3/20 0.51
HPGD P15428 3/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 1/20 0.51
EGFR P00533 1/20 0.50
APP P05067 1/20 0.46
PGR P06401 1/20 0.46
AR P10275 1/20 0.46
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
GLA P06280 1/20 0.44
MAOB P27338 4/20 0.44
ADORA1 P30542 2/20 0.44
NPC1 O15118 2/20 0.44
TP53 P04637 2/20 0.44
NFKB1 P19838 2/20 0.44
RAB9A P51151 2/20 0.44
NFKB2 Q00653 2/20 0.44

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
SCHEMBL6415752 0.79 KDM4E (0.43) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL26104293 0.79 MAOB (0.41) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL1789380 0.78 MEN1 (0.50) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL11084829 0.71 EGFR (0.71) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL11777406 0.70 NQO2 (0.49) KDM4EALDH1A1MAPTHPGDLMNA
SCHEMBL21136501 0.70 ALDH1A1 (0.56) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL2954914 0.70 ALDH1A1 (0.56) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL16690782 0.69 APP (0.50) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL140629 0.69 PGR (0.49) KDM4EALDH1A1MAPTHPGDGAA
SCHEMBL5030410 0.69 MEN1 (0.55) KDM4EALDH1A1MAPTHPGDLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 US disclosed
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF ADAMS JERRY LEROY 2008-11-20 US disclosed
US-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 US disclosed
US-7427623-B2 4-Amino-2,3-disubstituted thieno[2,3-d]pyrimidines and pharmacetical compositions thereof SMITHKLINE BEECHAM CORPORATION (US) 2008-09-23 US disclosed
US-20070088031-A1 Novel chemical compounds SMITHKLINE BEECHAM CORPORATION 2007-04-19 US disclosed
US-20070088031-A1 Novel chemical compounds SMITHKLINE BEECHAM CORPORATION 2007-04-19 US disclosed
EP-1689753-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-08-16 EP disclosed
WO-2005061516-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-07 WO disclosed
WO-2005061516-A1 NOVEL CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2005-07-07 WO disclosed
US-20050004142-A1 Chemical compounds SMITHKLINE BEECHAM CORPORATION 2005-01-06 US disclosed
EP-1425284-A2 FURO- AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-06-09 EP disclosed
WO-2003022852-A2 FURO-AND THIENOPYRIMIDINE DERIVATIVES AS ANGIOGENESIS INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2003-03-20 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 (3 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-20050004142-A1 Chemical compounds TIE1, KDR, TEK KDM4E 580/4885ALDH1A1 906/4885MAPT 2499/4885
US-20080287466-A1 4-AMINO-2,3-DISUBSTITUTED THIENO [2,3,D]PYRIMIDINES AND PHARMACEUTICAL COMPOSITIONS THEREOF TIE1, TEK, KDR KDM4E 202/4885ALDH1A1 1144/4885MAPT 2424/4885
US-20070088031-A1 Novel chemical compounds GSK3B, GSK3A, GSKIP KDM4E 1488/4885ALDH1A1 4009/4885MAPT 518/4885

“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.