SCHEMBL4159117

SCHEMBL4159117

Nc1nc2c(Nc3ccc(C(F)(F)F)cc3)nc(NCc3ccccn3)nc2n1-c1c(Cl)cccc1Cl

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 7/20 0.47
BCDIN3D Q7Z5W3 8/20 0.43
KCNH2 Q12809 1/20 0.41
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
BRAF P15056 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PTK2 Q05397 1/20 0.37
PTK2B Q14289 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
SCHEMBL4158324 0.83 TRPV1 (0.59) TRPV1BCDIN3D
SCHEMBL4159110 0.81 TRPV1 (0.58) TRPV1BCDIN3D
SCHEMBL4162708 0.79 TRPV1 (0.44) TRPV1BCDIN3D
SCHEMBL4167024 0.78 TRPV1 (0.54) TRPV1
SCHEMBL4165766 0.77 TRPV1 (0.44) TRPV1
SCHEMBL4165731 0.77 TRPV1 (0.42) TRPV1BCDIN3D
SCHEMBL13801584 0.77 TRPV1 (0.49) TRPV1KCNH2NPC1RAB9APTK2
SCHEMBL4154239 0.75 TRPV1 (0.45) TRPV1BCDIN3D
SCHEMBL4166871 0.75 TRPV1 (0.59) TRPV1
SCHEMBL4205834 0.75 TRPV1 (0.53) TRPV1KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090156598-A1 Imidazolopyrimidine modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 US claimed
US-20090156598-A1 Imidazolopyrimidine modulators of TRPV1 JANSSEN PHARMACEUTICA NV (BE) 2009-06-18 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-20090156598-A1 Imidazolopyrimidine modulators of TRPV1 TRPV1, TRPV2, TRPV5 TRPV1 1/4885BCDIN3D 1708/4885KCNH2 300/4885

“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.