SCHEMBL187177

SCHEMBL187177

COCCOc1cnc2ccc(C(C)O)cc2c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MET P08581 9/20 0.49
CYP3A4 P08684 1/20 0.47
ALDH1A1 P00352 1/20 0.41
F2 P00734 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
UGT2B7 P16662 1/20 0.41
CBFB Q13951 2/20 0.39
MIF P14174 1/20 0.36
PDGFRB P09619 1/20 0.36
PDGFRA P16234 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
P2RY12 Q9H244 1/20 0.36
BRD4 O60885 1/20 0.35
CREBBP Q92793 1/20 0.35
ABCB11 O95342 1/20 0.35

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
SCHEMBL14916036 0.85 MEN1 (0.47) METALDH1A1F2GLAHPGD
SCHEMBL10283506 0.84 ALDH1A1 (0.52) METALDH1A1F2GLAHPGD
SCHEMBL13619433 0.80 MET (0.45) METCYP3A4ALDH1A1F2GLA
SCHEMBL187290 0.78 CBFB (0.57) METCYP3A4ALDH1A1F2GLA
SCHEMBL358693 0.77 CNR1 (0.47) METCYP3A4ALDH1A1F2GLA
SCHEMBL187431 0.77 FBP1 (0.44) METCYP3A4ALDH1A1F2GLA
SCHEMBL358992 0.77 EGFR (0.42) METALDH1A1F2GLAHPGD
SCHEMBL186985 0.77 PDGFRB (0.43) METCYP3A4ALDH1A1F2GLA
SCHEMBL359221 0.76 ALDH1A1 (0.50) METCYP3A4ALDH1A1F2GLA
SCHEMBL370132 0.76 CBFB (0.46) METCYP3A4ALDH1A1F2GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2593107-A1 TYROSINE KINASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2013-05-22 EP disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
US-20130116231-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. 2013-05-09 US disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed
WO-2012009194-A1 TYROSINE KINASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2012-01-19 WO disclosed
EP-2310389-B1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC (US) 2012-01-04 EP disclosed
EP-2310389-B1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC (US) 2012-01-04 EP disclosed
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. 2011-05-19 US disclosed
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. 2011-05-19 US disclosed
US-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. 2011-05-19 US disclosed
EP-2310389-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS Amgen Inc. (US) 2011-04-20 EP disclosed
WO-2009143477-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2009-11-26 WO disclosed
WO-2009143477-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS AMGEN INC. (US) 2009-11-26 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 (2 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-20110118285-A1 HETEROCYCLES AS PROTEIN KINASE INHIBITORS HGF, HGFAC, MET MET 3/4885CYP3A4 1277/4885ALDH1A1 1377/4885
US-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET MET 3/4885CYP3A4 4244/4885ALDH1A1 762/4885

“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.