SCHEMBL635527

SCHEMBL635527

COc1cccc(C=Cc2nc3sccn3c(=O)c2-c2ccc(C(F)(F)F)cc2)c1OCC(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.39
MAOB P27338 1/20 0.35
PKM P14618 1/20 0.33
ABL1 P00519 1/20 0.33
RAF1 P04049 1/20 0.33
FGFR1 P11362 1/20 0.33
BRAF P15056 1/20 0.33
FLT3 P36888 1/20 0.33
MAPK8 P45983 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
NTRK2 Q16620 1/20 0.33
HIPK1 Q86Z02 1/20 0.33
MAP3K20 Q9NYL2 1/20 0.33
ITGB1 P05556 1/20 0.33
ITGA4 P13612 1/20 0.33
GPR139 Q6DWJ6 2/20 0.33
KDM4E B2RXH2 2/20 0.33
ACMSD Q8TDX5 1/20 0.33
TNKS O95271 1/20 0.33

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
SCHEMBL636161 0.92 NFE2L2 (0.38) NFE2L2MAOBPKMABL1RAF1
SCHEMBL635804 0.91 GPR139 (0.34) PKMGPR139KDM4EACMSDPIK3CD
SCHEMBL16966562 0.90 NFE2L2 (0.40) NFE2L2MAOBPKMABL1RAF1
SCHEMBL16966531 0.90 NFE2L2 (0.40) NFE2L2MAOBPKMABL1RAF1
SCHEMBL636509 0.90 NFE2L2 (0.40) NFE2L2MAOBPKMABL1RAF1
SCHEMBL16966532 0.90 NFE2L2 (0.40) NFE2L2MAOBPKMABL1RAF1
SCHEMBL637214 0.89 NFE2L2 (0.39) NFE2L2MAOBPKMABL1RAF1
SCHEMBL636917 0.89 KDM4E (0.35) NFE2L2PKMKDM4EACMSDPIK3CD
SCHEMBL4402152 0.89 KDM4E (0.35) NFE2L2PKMKDM4EACMSDPIK3CD
SCHEMBL16966563 0.88 NFE2L2 (0.37) NFE2L2MAOBPKMABL1RAF1

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
EP-2283017-B1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2015-08-05 EP claimed
US-8518955-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-27 US claimed
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2012-05-10 US claimed
US-8119647-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-21 US claimed
US-20090286811-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2009-11-19 US claimed
EP-2283017-B1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2015-08-05 EP disclosed
US-8518955-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2013-08-27 US disclosed
EP-2626360-A1 Process for the preparation of fused pyrimidineone compounds useful as TRPV3 modulators Glenmark Pharmaceuticals S.A. (CH) 2013-08-14 EP disclosed
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2012-05-10 US disclosed
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2012-05-03 US disclosed
US-8119647-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-21 US disclosed
US-20090286811-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2009-11-19 US 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-20090286811-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 NFE2L2 1263/4885MAOB 3848/4885PKM 894/4885
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 NFE2L2 1263/4885MAOB 3848/4885PKM 894/4885
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 NFE2L2 1263/4885MAOB 3848/4885PKM 894/4885

“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.