SCHEMBL638077

SCHEMBL638077

COc1cccc(C=Cc2nc3sccn3c(=O)c2-c2ccc(OC(F)(F)F)cc2)c1OCCC(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 1/20 0.33
KDM4E B2RXH2 1/20 0.33
PKM P14618 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MAPT P10636 2/20 0.32
TP53 P04637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
APLNR P35414 1/20 0.32
HCRTR1 O43613 4/20 0.32
HCRTR2 O43614 4/20 0.32
MCHR1 Q99705 1/20 0.32
GPR139 Q6DWJ6 2/20 0.31
KCNQ3 O43525 1/20 0.31
KCNQ2 O43526 1/20 0.31
CSNK1D P48730 1/20 0.31

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
SCHEMBL635933 0.93 HCRTR1 (0.36) ACMSDKDM4EPKML3MBTL1MAPT
SCHEMBL636196 0.93 APLNR (0.35) ACMSDKDM4EPKML3MBTL1MAPT
SCHEMBL636159 0.93 APLNR (0.38) ACMSDKDM4EPKML3MBTL1MAPT
SCHEMBL637598 0.92 APLNR (0.37) ACMSDKDM4EPKML3MBTL1MAPT
SCHEMBL638081 0.92 MAPT (0.33) ACMSDKDM4EPKML3MBTL1MAPT
SCHEMBL636548 0.91 MAPT (0.35) ACMSDKDM4EPKML3MBTL1MAPT
SCHEMBL636240 0.91 GPR139 (0.33) ACMSDPKML3MBTL1MAPTTP53
SCHEMBL4401369 0.91 GPR139 (0.33) ACMSDPKML3MBTL1MAPTTP53
SCHEMBL636525 0.90 KCNQ3 (0.33) ACMSDKDM4EPKML3MBTL1MAPT
SCHEMBL16966559 0.90 ACMSD (0.35) ACMSDKDM4EPKML3MBTL1MAPT

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 6 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
EP-2283017-B1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2015-08-05 EP disclosed
US-8119647-B2 Fused pyrimidineone compounds as TRPV3 modulators GLENMARK PHARMACEUTICALS S.A. (CH) 2012-02-21 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 (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-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 ACMSD 2943/4885KDM4E 3735/4885PKM 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.