SCHEMBL636792

SCHEMBL636792

O=c1c(-c2ccccc2)c(C=Cc2ccc(Cl)cc2)nc2sccn12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.40
NR1I3 Q14994 3/20 0.40
TEK Q02763 3/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
FLT1 P17948 2/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PIK3CD O00329 1/20 0.39
KDR P35968 2/20 0.39
KDM4E B2RXH2 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 4/20 0.37
PKM P14618 2/20 0.37
LMNA P02545 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL636791 1.00 CYP1A2 (0.40) CYP1A2NR1I3TEKNPC1RAB9A
SCHEMBL10996885 0.83 CYP1A2 (0.52) CYP1A2NPC1RAB9ARXFP1KDM4E
SCHEMBL10998832 0.82 CYP1A2 (0.51) CYP1A2NPC1RAB9ARXFP1KDM4E
SCHEMBL638319 0.81 CYP1A2 (0.44) CYP1A2NPC1RAB9ARXFP1KDM4E
SCHEMBL638318 0.81 CYP1A2 (0.44) CYP1A2NPC1RAB9ARXFP1KDM4E
SCHEMBL10994728 0.81 CYP1A2 (0.52) CYP1A2TEKNPC1RAB9AFLT1
SCHEMBL2820756 0.80 KDM4E (0.44) CYP1A2NPC1RAB9ARXFP1KDM4E
SCHEMBL2820752 0.80 KDM4E (0.44) CYP1A2NPC1RAB9ARXFP1KDM4E
SCHEMBL10991954 0.77 TDP1 (0.47) CYP1A2TEKNPC1RAB9AKDR
SCHEMBL10996865 0.73 PKM (0.42) CYP1A2NPC1RAB9AKDM4EMAPT

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 CYP1A2 2916/4885NR1I3 198/4885TEK 1520/4885
US-20120115886-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 CYP1A2 2916/4885NR1I3 198/4885TEK 1520/4885
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 CYP1A2 2916/4885NR1I3 198/4885TEK 1520/4885

“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.