SCHEMBL637142

SCHEMBL637142

COc1cccc(C=Cc2nc3sccn3c(=O)c2-c2ccc(O)cc2)c1OCC1CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
PKM P14618 1/20 0.34
MAPT P10636 5/20 0.33
KMT2A Q03164 2/20 0.33
TP53 P04637 1/20 0.33
NFE2L2 Q16236 2/20 0.33
LMNA P02545 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
THRB P10828 1/20 0.33
GAA P10253 1/20 0.33
SCN9A Q15858 4/20 0.32
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.32

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
SCHEMBL13667052 1.00 ACMSD (0.36) ACMSDL3MBTL1PKMMAPTKMT2A
SCHEMBL636539 0.93 PDE10A (0.35) ACMSDL3MBTL1PKMMAPTTP53
SCHEMBL4399942 0.93 PDE10A (0.35) ACMSDL3MBTL1PKMMAPTTP53
SCHEMBL637328 0.93 HCRTR1 (0.37) ACMSDL3MBTL1PKMMAPTTP53
SCHEMBL6032767 0.93 HCRTR1 (0.37) ACMSDL3MBTL1PKMMAPTTP53
SCHEMBL636242 0.93 ACMSD (0.37) ACMSDL3MBTL1PKMMAPTKMT2A
SCHEMBL636241 0.93 ACMSD (0.37) ACMSDL3MBTL1PKMMAPTKMT2A
SCHEMBL16966530 0.92 NPC1 (0.36) ACMSDL3MBTL1PKMMAPTKMT2A
SCHEMBL636558 0.91 ACMSD (0.38) ACMSDL3MBTL1PKMMAPTTP53
SCHEMBL4402304 0.91 HIF1A (0.35) ACMSDL3MBTL1PKMMAPTKMT2A

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 ACMSD 2943/4885L3MBTL1 4747/4885PKM 894/4885
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 ACMSD 2943/4885L3MBTL1 4747/4885PKM 894/4885
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 ACMSD 2943/4885L3MBTL1 4747/4885PKM 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.