SCHEMBL4158353

SCHEMBL4158353

Nc1nc2c(Nc3ccc(C(F)(F)F)nc3)ncnc2n1-c1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 12/20 0.44
EPHX2 P34913 1/20 0.43
CYP2C9 P11712 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
SLC22A8 Q8TCC7 1/20 0.39
SLC22A12 Q96S37 1/20 0.39
SLC22A11 Q9NSA0 1/20 0.39
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
ALOX15 P16050 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
BCDIN3D Q7Z5W3 4/20 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
SCHEMBL4150099 0.82 TRPV1 (0.56) TRPV1EPHX2BCDIN3D
SCHEMBL4148677 0.76 TRPV1 (0.54) TRPV1
SCHEMBL13801566 0.73 TRPV1 (0.49) TRPV1EPHX2CYP2C9SLC22A6SLC22A8
SCHEMBL14289554 0.71 TRPV1 (0.76) TRPV1
SCHEMBL14305353 0.70 TRPV1 (0.55) TRPV1EPHX2
SCHEMBL4167024 0.68 TRPV1 (0.54) TRPV1
SCHEMBL4211025 0.67 TRPV1 (0.57) TRPV1EPHX2CYP2C9SLC22A6SLC22A8
SCHEMBL15184043 0.67 EGFR (0.55) TRPV1EPHX2
SCHEMBL5105441 0.65 TRPV1 (0.76) TRPV1
SCHEMBL4158351 0.65 CYP1A2 (0.46) TRPV1EPHX2CYP2C9SLC22A6SLC22A8

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 1/4885EPHX2 2199/4885CYP2C9 2139/4885

“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.