SCHEMBL358693

SCHEMBL358693

COCCOc1cnc2ccc(Cl)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.47
CNR2 P34972 1/20 0.47
MET P08581 8/20 0.45
ALDH1A1 P00352 1/20 0.41
F2 P00734 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
FGFR1 P11362 1/20 0.40
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
CBFB Q13951 2/20 0.39
CYP3A4 P08684 1/20 0.39
PDE2A O00408 1/20 0.39
PDE10A Q9Y233 1/20 0.39
PDGFRB P09619 2/20 0.39
PDGFRA P16234 2/20 0.39
S1PR4 O95977 1/20 0.39
SRC P12931 1/20 0.38

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
SCHEMBL166407 0.83 KMT2A (0.49) CNR1CNR2ALDH1A1F2GLA
SCHEMBL187431 0.82 FBP1 (0.44) METALDH1A1F2GLAHPGD
SCHEMBL358992 0.82 EGFR (0.42) METALDH1A1F2GLAHPGD
SCHEMBL14926619 0.80 KDM4E (0.47) FGFR1FLT1KDRS1PR4
SCHEMBL8560716 0.80 TSHR (0.49) METALDH1A1HPGDPDGFRBPDGFRA
SCHEMBL187290 0.79 CBFB (0.57) METALDH1A1F2GLAHPGD
SCHEMBL186997 0.78 FDPS (0.43) METALDH1A1F2GLAHPGD
SCHEMBL186985 0.78 PDGFRB (0.43) METALDH1A1F2GLAHPGD
SCHEMBL359221 0.77 ALDH1A1 (0.50) METALDH1A1F2GLAHPGD
SCHEMBL359222 0.77 MET (0.47) METALDH1A1F2GLAHPGD

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 5 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20130116231-A1 TYROSINE KINASE INHIBITORS ABL1, ERBB2, MET CNR1 3543/4885CNR2 4099/4885MET 3/4885

“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.