SCHEMBL9900387

SCHEMBL9900387

C=Cc1cnc(Oc2ccc(Cl)c(C(F)(F)F)c2)c(F)c1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.42
BRAF P15056 1/20 0.42
PLA2G7 Q13093 11/20 0.40
SCN9A Q15858 4/20 0.39
SCN5A Q14524 1/20 0.38
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
RAF1 P04049 1/20 0.36
PDGFRB P09619 1/20 0.36
KIT P10721 1/20 0.36
PDGFRA P16234 1/20 0.36
FGFR2 P21802 1/20 0.36
FLT3 P36888 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
SCHEMBL9900889 0.89 KCNH2 (0.39) KDRBRAFPLA2G7SCN9A
SCHEMBL875574 0.88 KDR (0.44) KDRBRAFPLA2G7SCN9ASCN5A
SCHEMBL9108605 0.81 PLA2G7 (0.45) PLA2G7SCN9A
SCHEMBL875283 0.81 BRAF (0.44) KDRBRAFPLA2G7SCN9ASCN5A
SCHEMBL9900810 0.79 BRAF (0.43) KDRBRAFPLA2G7SCN9ASCN5A
SCHEMBL9105590 0.79 AR (0.45) KDRBRAFPLA2G7SCN9ARAF1
SCHEMBL29984723 0.77 AR (0.46) KDRBRAFSCN9ARAF1
SCHEMBL876324 0.77 AR (0.46) KDRBRAFSCN9ARAF1
SCHEMBL875765 0.76 ALDH1A1 (0.41) KDRBRAFPLA2G7SCN9ASMN1; SMN2
SCHEMBL875844 0.74 CDK8 (0.46) KDRBRAFPLA2G7RAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
US-8859573-B2 Pyrimidinone and pyridinone compounds for use in the treatment of diseases or conditions mediated by Lp-PLA2 GLAXO GROUP LIMITED (GB) 2014-10-14 US disclosed
EP-2649050-A1 COMPOUNDS Glaxo Group Limited (GB) 2013-10-16 EP disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
US-20130252986-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2013-09-26 US disclosed
WO-2012075917-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2012-06-14 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-20130252986-A1 COMPOUNDS LIPG, ENPP2, PLA2G1B KDR 1031/4885BRAF 2646/4885PLA2G7 6/4885

“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.