SCHEMBL13544992

SCHEMBL13544992

Cc1cccc(F)c1C(=O)Nc1c[nH]nc1-c1nc2c(C)cc(C(F)(F)F)cc2[nH]1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 3/20 0.38
PTGES O14684 11/20 0.38
TLR8 Q9NR97 3/20 0.37
TLR7 Q9NYK1 2/20 0.37
CYP1A2 P05177 1/20 0.37
GAA P10253 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL12521780 0.96 TRPA1 (0.41) TRPA1PTGESTLR8TLR7CYP1A2
SCHEMBL16229462 0.89 TRPA1 (0.40) TRPA1PTGESTLR8TLR7CYP1A2
SCHEMBL1645893 0.87 EGLN1 (0.42) TRPA1PTGESTLR8TLR7CYP1A2
SCHEMBL1644817 0.86 TLR8 (0.41) TRPA1PTGESTLR8TLR7CYP1A2
SCHEMBL8306075 0.86 CBFB (0.45) TRPA1PTGESTLR8TLR7MAPT
SCHEMBL13446034 0.86 DHODH (0.43) TRPA1PTGESCYP1A2MAPT
SCHEMBL8299814 0.85 MGAM (0.48) CYP1A2GAAMAPT
SCHEMBL8302369 0.84 PTGES (0.42) PTGESMAPT
SCHEMBL14514539 0.84 TRPA1 (0.39) TRPA1PTGESTLR8TLR7CYP1A2
SCHEMBL13544998 0.79 MAPT (0.39) PTGESCYP1A2GAAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004232-A1 Pharmaceutical Compounds ASTEX THERAPEUTICS LIMITED (UK) 2010-01-07 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-20100004232-A1 Pharmaceutical Compounds ERBB3, ABL1, RET TRPA1 4573/4885PTGES 3537/4885TLR8 2617/4885

“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.