SCHEMBL6923456

SCHEMBL6923456

Fc1cnc2c(Nc3ccc(F)c(Cl)c3)n[nH]c2c1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 18/20 0.72
TRPA1 O75762 2/20 0.58
KCNQ3 O43525 1/20 0.55
KCNQ2 O43526 1/20 0.55
KCNQ1 P51787 1/20 0.55
SCN5A Q14524 1/20 0.55
SCN9A Q15858 1/20 0.55

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
SCHEMBL6923576 0.84 GRM4 (1.00) GRM4TRPA1KCNQ3KCNQ2KCNQ1
SCHEMBL2360210 0.82 GRM4 (1.00) GRM4
SCHEMBL29496460 0.82 GRM4 (1.00) GRM4
SCHEMBL6923707 0.78 GRM4 (1.00) GRM4TRPA1
SCHEMBL6922868 0.77 GRM4 (0.70) GRM4
SCHEMBL6923487 0.75 GRM4 (0.64) GRM4TRPA1
SCHEMBL19793215 0.73 GRM4 (1.00) GRM4TRPA1KCNQ3KCNQ2KCNQ1
SCHEMBL6922229 0.73 GRM4 (0.58) GRM4TRPA1
SCHEMBL19794683 0.72 GRM4 (1.00) GRM4TRPA1
SCHEMBL20901588 0.71 GRM4 (0.50) GRM4TRPA1KCNQ3KCNQ2KCNQ1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9163015-B2 Pyrazolopyridine, pyrarolopyrazine, pyrazolopyrimidine, pyrazolothiophene and pyrazolothiazole compounds as MGLUR4 allosteric potentiators, compositions, and methods of treating neurological dysfunction VANDERBILT UNIVERSITY (US) 2015-10-20 US disclosed
US-20130096110-A1 Pyrazolopyridine, Pyrazolopyrazine, Pyrazolopyrimidine, Pyrazolothiophene and Pyrazolothiazole Compounds as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction VANDERBILT UNIVERSITY (US) 2013-04-18 US disclosed
WO-2011100607-A1 PYRAZOLOPYRIDINE, PYRAZOLOPYRAZINE, PYRAZOLOPYRIMIDINE, PYRAZOLOTHIOPHENE AND PYRAZOLOTHIAZOLE COMPOUNDS AS MGLUR4 ALLOSTERIC POTENTIATORS, COMPOUNDS, AND METHODS OF TREATING NEUROLOGICAL DYSFUNCTION VANDERBILT UNIVERSITY (US) 2011-08-18 WO 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-20130096110-A1 Pyrazolopyridine, Pyrazolopyrazine, Pyrazolopyrimidine, Pyrazolothiophene and Pyrazolothiazole Compounds as MGLUR4 Allosteric Potentiators, Compositions, and Methods of Treating Neurological Dysfunction GRM4, GRIK4, GRIA4 GRM4 1/4885TRPA1 479/4885KCNQ3 379/4885

“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.