SCHEMBL10145401

SCHEMBL10145401

COCCOc1c(/C=C/c2nc3sc4ccccc4n3c(=O)c2-c2ccc(OC(F)(F)F)cc2)cccc1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
CSNK1D P48730 2/20 0.35
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 2/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 2/20 0.34
POLB P06746 1/20 0.34
HPN P05981 1/20 0.33
PRF1 P14222 1/20 0.33
ACMSD Q8TDX5 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
TUBB4A P04350 1/20 0.32
TUBB P07437 1/20 0.32
TUBA3C P0DPH7 1/20 0.32
TUBA1B P68363 1/20 0.32
TUBA4A P68366 1/20 0.32
TUBB4B P68371 1/20 0.32
TUBB3 Q13509 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
SCHEMBL636251 1.00 HCRTR1 (0.35) HCRTR1HCRTR2CSNK1DKDM4EALDH1A1
SCHEMBL4402162 0.94 CSNK1D (0.34) CSNK1DKDM4EALDH1A1MAPTHTT
SCHEMBL637224 0.94 CSNK1D (0.34) CSNK1DKDM4EALDH1A1MAPTHTT
SCHEMBL4402314 0.93 HCRTR1 (0.37) HCRTR1HCRTR2CSNK1DKDM4EALDH1A1
SCHEMBL636608 0.92 NFE2L2 (0.38) CSNK1DKDM4EALDH1A1MAPTHTT
SCHEMBL4401375 0.89 HCRTR1 (0.40) HCRTR1HCRTR2CSNK1DKDM4EHTT
SCHEMBL636563 0.89 HCRTR1 (0.40) HCRTR1HCRTR2CSNK1DKDM4EHTT
SCHEMBL635608 0.85 NFE2L2 (0.37) CSNK1DKDM4EALDH1A1MAPTHTT
SCHEMBL635933 0.84 HCRTR1 (0.36) HCRTR1HCRTR2KDM4EALDH1A1MAPT
SCHEMBL16966557 0.83 NFE2L2 (0.36) KDM4EALDH1A1MAPTPRF1ACMSD

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
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
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-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
US-20090286811-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. 2009-11-19 US disclosed
WO-2009130560-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2009-10-29 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 (2 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 HCRTR1 1984/4885HCRTR2 1487/4885CSNK1D 2771/4885
US-20120108813-A1 FUSED PYRIMIDINEONE COMPOUNDS AS TRPV3 MODULATORS TRPV3, TRPV1, TRPV4 HCRTR1 1984/4885HCRTR2 1487/4885CSNK1D 2771/4885

“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.