SCHEMBL1167390

SCHEMBL1167390

Cc1nc(C(=O)Nc2cnn(Cc3ccc(C(C)(F)F)o3)c2)c(-c2ccccc2)o1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 13/20 0.49
HCRTR1 O43613 6/20 0.49
FPR2 P25090 3/20 0.47
SCD O00767 3/20 0.47
SCD5 Q86SK9 3/20 0.47
TAS2R8 Q9NYW2 1/20 0.41

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
SCHEMBL1167234 0.92 HCRTR2 (0.60) HCRTR2HCRTR1FPR2
SCHEMBL1166943 0.90 HCRTR2 (0.48) HCRTR2HCRTR1FPR2TAS2R8
SCHEMBL1166493 0.89 HCRTR2 (0.54) HCRTR2HCRTR1FPR2TAS2R8
SCHEMBL1166829 0.87 HCRTR2 (0.62) HCRTR2HCRTR1
SCHEMBL1166992 0.85 HCRTR2 (0.64) HCRTR2HCRTR1FPR2SCDSCD5
SCHEMBL1703928 0.83 FPR2 (0.64) HCRTR1FPR2
SCHEMBL1166534 0.81 HCRTR2 (0.51) HCRTR2HCRTR1FPR2
SCHEMBL1166400 0.81 HCRTR2 (0.67) HCRTR2HCRTR1SCDSCD5
SCHEMBL1165878 0.80 HCRTR2 (0.77) HCRTR2HCRTR1
SCHEMBL1166720 0.79 HCRTR2 (0.63) HCRTR2HCRTR1FPR2SCDSCD5

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-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 US claimed
US-20110034516-A1 AMINOPYRAZOLE DERIVATIVES ACTELION (CH) 2011-02-10 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-20110034516-A1 AMINOPYRAZOLE DERIVATIVES CYP3A43, CYP1A2, CYP3A5 HCRTR2 2700/4885HCRTR1 2862/4885FPR2 1074/4885

“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.