SCHEMBL2820864

SCHEMBL2820864

COc1cccc(/C=C/c2nc3ccccn3c(=O)c2-c2ccc(C(F)(F)F)cc2)c1OC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFE2L2 Q16236 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TRPV1 Q8NER1 1/20 0.34
TNKS O95271 1/20 0.33
TNKS2 Q9H2K2 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
TRPM8 Q7Z2W7 2/20 0.33
NPC1 O15118 2/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
MAOB P27338 1/20 0.33
RAB9A P51151 2/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
BACE1 P56817 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 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
SCHEMBL2823839 0.92 MAOB (0.37) NFE2L2SMN1; SMN2LMNAL3MBTL1NPC1
SCHEMBL2820866 0.92 MAOB (0.37) NFE2L2SMN1; SMN2LMNAL3MBTL1NPC1
SCHEMBL2819041 0.91 LMNA (0.39) NFE2L2SMN1; SMN2LMNAL3MBTL1TRPM8
SCHEMBL2819037 0.91 LMNA (0.39) NFE2L2SMN1; SMN2LMNAL3MBTL1TRPM8
SCHEMBL2820136 0.91 CXCR3 (0.37) SMN1; SMN2LMNAL3MBTL1HCRTR1HCRTR2
SCHEMBL2825547 0.90 LMNA (0.38) SMN1; SMN2LMNAL3MBTL1TRPM8NPC1
SCHEMBL2825545 0.90 LMNA (0.38) SMN1; SMN2LMNAL3MBTL1TRPM8NPC1
SCHEMBL2821320 0.88 NFE2L2 (0.39) NFE2L2SMN1; SMN2LMNAL3MBTL1TRPV1
SCHEMBL2823170 0.88 LMNA (0.36) NFE2L2SMN1; SMN2LMNAL3MBTL1TRPM8
SCHEMBL13021125 0.88 CYP1A1 (0.39) SMN1; SMN2LMNAL3MBTL1TRPM8NPC1

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 NFE2L2 1447/4885SMN1; SMN2 4045/4885LMNA 2123/4885

“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.