SCHEMBL5216814

SCHEMBL5216814

c1ccc2cc(-n3cc(-c4ccncn4)cn3)ccc2c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.45
MKNK1 Q9BUB5 7/20 0.45
MAPK10 P53779 8/20 0.44
MAPK9 P45984 7/20 0.44
PDE10A Q9Y233 2/20 0.43
MKNK2 Q9HBH9 1/20 0.41
GRM4 Q14833 1/20 0.39
MAPK8 P45983 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
SCHEMBL5217012 0.85 GRM5 (0.61) GRM5MKNK1MAPK10MAPK9PDE10A
SCHEMBL5668065 0.82 GRM4 (0.48) GRM5MKNK1MAPK9PDE10AGRM4
SCHEMBL5662955 0.82 GRM5 (0.51) GRM5MKNK1PDE10AMKNK2GRM4
SCHEMBL5217035 0.81 GRM4 (0.44) GRM5MKNK1PDE10AMKNK2GRM4
SCHEMBL14380712 0.80 PDE10A (0.44) GRM5MKNK1PDE10AMKNK2GRM4
SCHEMBL8354922 0.79 GRM5 (0.48) GRM5MKNK1PDE10AMKNK2GRM4
SCHEMBL28245414 0.79 PDE10A (0.46) GRM5MKNK1MAPK9PDE10AMKNK2
SCHEMBL5216262 0.78 PDE10A (0.45) PDE10AGRM4
SCHEMBL12410593 0.78 CYP2A6 (0.47) GRM5MKNK1PDE10AMKNK2GRM4
SCHEMBL12203764 0.78 PDE10A (0.46) GRM5MKNK1PDE10AGRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1458383-B1 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2007-11-21 EP claimed
EP-1458383-A4 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2005-05-25 EP claimed
US-20050026963-A1 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME LLC 2005-02-03 US claimed
EP-1458383-A2 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2004-09-22 EP claimed
WO-2004030637-A2 TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE MERCK & CO., INC. (US) 2004-04-15 WO claimed
WO-2003051833-A2 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2003-06-26 WO claimed
US-7569592-B2 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2009-08-04 US disclosed
US-7569592-B2 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2009-08-04 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-20050026963-A1 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRIN2C GRM5 1/4885MKNK1 893/4885MAPK10 2420/4885

“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.