SCHEMBL13865685

SCHEMBL13865685

COc1nc(N2CCC(NC(=O)Nc3cccc4c(C)nccc34)CC2)ccc1C(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK2 P49760 1/20 0.43
GSK3A P49840 1/20 0.43
GSK3B P49841 1/20 0.43
CSNK2A1 P68400 1/20 0.43
STK3 Q13188 1/20 0.43
HIPK4 Q8NE63 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
PAK1 Q13153 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TRPV1 Q8NER1 3/20 0.41
CCNC P24863 8/20 0.41
CDK8 P49336 8/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA4 P22748 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
SIGMAR1 Q99720 1/20 0.40

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
SCHEMBL13865713 0.94 PAK1 (0.41) CLK2GSK3AGSK3BCSNK2A1STK3
SCHEMBL13865716 0.87 PAK1 (0.42) CLK2GSK3AGSK3BCSNK2A1STK3
SCHEMBL13865725 0.85 TRPV1 (0.47) CLK2GSK3AGSK3BCSNK2A1STK3
SCHEMBL13865717 0.84 PAK1 (0.46) PAK1KDM4ETRPV1CCNCCDK8
SCHEMBL13865711 0.82 DRD2 (0.45) CLK2GSK3AGSK3BCSNK2A1STK3
SCHEMBL13865723 0.81 CCNC (0.43) CLK2GSK3AGSK3BCSNK2A1STK3
SCHEMBL13865719 0.81 TRPV1 (0.44) PAK1KDM4ETRPV1TRPM8EPHX2
Hydrochloric Acid SCHEMBL4507496 0.80 TRPV1 (0.39) CLK2GSK3AGSK3BCSNK2A1STK3
SCHEMBL13865714 0.79 TRPV1 (0.43) PAK1KDM4ETRPV1TRPM8CA12
SCHEMBL13865715 0.77 TRPV1 (0.54) PAK1KDM4ETRPV1SIGMAR1EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7528151-B2 Heterocyclic urea derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-7528151-B2 Heterocyclic urea derivatives for the treatment of pain GLAXO GROUP LIMITED (GB) 2009-05-05 US disclosed
US-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 US disclosed
US-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-05-24 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 (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-20070117820-A1 Heterocyclic urea derivatives for the treatment of pain U2SURP, UMPS, SFPQ CLK2 3290/4885GSK3A 4577/4885GSK3B 4447/4885

“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.