SCHEMBL187431

SCHEMBL187431

COCCOc1cnc2ccc(Br)cc2c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 1/20 0.44
ALDH1A1 P00352 1/20 0.41
F2 P00734 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
MET P08581 8/20 0.41
CBFB Q13951 2/20 0.39
CYP3A4 P08684 1/20 0.39
PDGFRB P09619 2/20 0.39
PDGFRA P16234 2/20 0.39
MALT1 Q9UDY8 1/20 0.39
TP53 P04637 1/20 0.38
APP P05067 1/20 0.37
EGFR P00533 1/20 0.36

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
SCHEMBL31052246 0.83 PDE3B (0.45) ALDH1A1F2GLAHPGDPDGFRB
SCHEMBL25262958 0.83 PDE3B (0.45) ALDH1A1F2GLAHPGDPDGFRB
SCHEMBL163368 0.83 SLC2A1 (0.42) ALDH1A1F2GLAHPGDCYP3A4
SCHEMBL360304 0.82 ALDH1A1 (0.54) ALDH1A1F2GLAHPGDPDGFRB
SCHEMBL31052319 0.82 TP53 (0.37) FBP1ALDH1A1F2GLAHPGD
SCHEMBL25221439 0.82 TP53 (0.37) FBP1ALDH1A1F2GLAHPGD
SCHEMBL358992 0.82 EGFR (0.42) ALDH1A1F2GLAHPGDMET
SCHEMBL358693 0.82 CNR1 (0.47) ALDH1A1F2GLAHPGDMET
SCHEMBL31498434 0.80 KDM4E (0.47) FBP1
SCHEMBL5829593 0.80 KDM4E (0.47) FBP1

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 10 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
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

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 FBP1 891/4885ALDH1A1 1377/4885F2 1996/4885
US-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET FBP1 1609/4885ALDH1A1 762/4885F2 4859/4885

“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.