SCHEMBL6923559

SCHEMBL6923559

Cn1nc2cccnc2c1Nc1ccc(F)c(Cl)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM4 Q14833 3/20 1.00
▸ EGFR P00533 9/20 0.45
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.41
▸ KDR P35968 5/20 0.40
▸ ABCG2 Q9UNQ0 1/20 0.40
▸ ERBB2 P04626 2/20 0.40
▸ RAPGEF4 Q8WZA2 1/20 0.40
▸ GRM1 Q13255 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ AURKA O14965 1/20 0.39
▸ INSR P06213 1/20 0.39
▸ FBP1 P09467 1/20 0.39
▸ PDGFRB P09619 1/20 0.39
▸ FLT4 P35916 1/20 0.39
▸ CLK1 P49759 1/20 0.39
▸ EPHB4 P54760 1/20 0.39
▸ TEK Q02763 1/20 0.39
▸ AURKB Q96GD4 1/20 0.39

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
SCHEMBL14867347 0.86 GRM4 (0.76) GRM4RAPGEF4
SCHEMBL9123512 0.77 GRM4 (0.62) GRM4LMNAKDRABCG2AURKA
SCHEMBL16247377 0.69 TDO2 (0.62) GRM4
SCHEMBL16247453 0.68 IDO1 (0.58) GRM4MAPK1RAPGEF4
SCHEMBL29496460 0.68 GRM4 (1.00) GRM4
SCHEMBL2236658 0.68 EPHX2 (0.60) GRM4EGFRKDRAURKA
SCHEMBL2360210 0.68 GRM4 (1.00) GRM4
SCHEMBL29408384 0.67 EGFR (0.52) GRM4EGFRMAPK1KDRABCG2
SCHEMBL28415105 0.67 EGFR (0.52) GRM4EGFRMAPK1KDRABCG2
SCHEMBL1093567 0.66 EGFR (0.51) GRM4EGFRABCG2ERBB2RXFP1

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 3588/4885LMNA 4877/4885

“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.

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