SCHEMBL2820752

SCHEMBL2820752

O=c1c(-c2ccccc2)c(/C=C/c2ccc(Cl)cc2)nc2ccccn12

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 9/20 0.44
MAPT P10636 7/20 0.44
NPSR1 Q6W5P4 3/20 0.44
ENPP2 Q13822 1/20 0.44
NPC1 O15118 5/20 0.42
RAB9A P51151 5/20 0.42
GFER P55789 2/20 0.42
RXFP1 Q9HBX9 1/20 0.42
ALDH1A1 P00352 7/20 0.42
GAA P10253 4/20 0.42
GLA P06280 3/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
HSD17B10 Q99714 3/20 0.39
CYP1A2 P05177 2/20 0.39
MAPK1 P28482 1/20 0.39
POLB P06746 3/20 0.39
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.38
CYP2C19 P33261 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
SCHEMBL2820756 1.00 KDM4E (0.44) KDM4EMAPTNPSR1ENPP2NPC1
SCHEMBL2825622 0.82 KDM4E (0.46) KDM4EMAPTNPSR1ENPP2NPC1
SCHEMBL2825619 0.82 KDM4E (0.46) KDM4EMAPTNPSR1ENPP2NPC1
SCHEMBL636791 0.80 CYP1A2 (0.40) KDM4EMAPTNPC1RAB9ARXFP1
SCHEMBL636792 0.80 CYP1A2 (0.40) KDM4EMAPTNPC1RAB9ARXFP1
SCHEMBL3958412 0.74 ENPP2 (0.62) KDM4EMAPTNPSR1ENPP2NPC1
SCHEMBL3959071 0.73 FADS1 (0.48) KDM4EMAPTNPSR1ENPP2NPC1
SCHEMBL15286911 0.71 NPC1 (0.58) KDM4EMAPTNPSR1NPC1RAB9A
SCHEMBL3960302 0.71 ENPP2 (0.52) KDM4EMAPTNPSR1ENPP2NPC1
SCHEMBL3964209 0.71 ENPP2 (0.55) KDM4EMAPTNPSR1ENPP2NPC1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8349846-B2 Fused pyrimidine derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2013-01-08 US claimed
US-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-18 US claimed
US-8349846-B2 Fused pyrimidine derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2013-01-08 US disclosed
US-8349846-B2 Fused pyrimidine derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2013-01-08 US disclosed
US-8349846-B2 Fused pyrimidine derivatives as TRPV3 modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2013-01-08 US disclosed
US-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-18 US disclosed
US-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-18 US disclosed
US-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators GLENMARK PHARMACEUTICALS, S.A. (CH) 2010-11-18 US disclosed
WO-2009109987-A2 FUSED PYRIMIDINE DERIVATIVES AS TRPV3 MODULATORS GLENMARK PHARMACEUTICALS, S.A. (CH) 2009-09-11 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 (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-20100292254-A1 Fused Pyrimidine Derivatives as Trpv3 Modulators TRPV3, TRPV1, TRPV5 KDM4E 1749/4885MAPT 1674/4885NPSR1 48/4885

“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.