SCHEMBL6922229

SCHEMBL6922229

Fc1ccc(Nc2n[nH]c3ccsc23)cc1Cl

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 8/20 0.58
EGFR P00533 4/20 0.52
TRPA1 O75762 3/20 0.49
CSNK2A1 P68400 2/20 0.48
HPGD P15428 1/20 0.42
FADS1 O60427 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
SCHEMBL15691438 0.79 EGFR (0.58) GRM4EGFRTRPA1CSNK2A1HPGD
SCHEMBL6923487 0.74 GRM4 (0.64) GRM4EGFRTRPA1CSNK2A1
SCHEMBL6923707 0.74 GRM4 (1.00) GRM4TRPA1
SCHEMBL29496460 0.73 GRM4 (1.00) GRM4
SCHEMBL6923456 0.73 GRM4 (0.72) GRM4TRPA1
SCHEMBL2360210 0.73 GRM4 (1.00) GRM4
SCHEMBL6923576 0.72 GRM4 (1.00) GRM4TRPA1CSNK2A1
SCHEMBL6922868 0.70 GRM4 (0.70) GRM4
SCHEMBL4740555 0.70 FADS1 (0.71) GRM4EGFRTRPA1FADS1
SCHEMBL14201380 0.69 EGFR (0.32) GRM4EGFRTRPA1

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 1/4885EGFR 3588/4885TRPA1 479/4885

“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.