SCHEMBL5669963

SCHEMBL5669963

c1ccc(-c2cnn(-c3cccc(-c4ccncc4)c3)c2)nc1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.64
MKNK1 Q9BUB5 5/20 0.45
MELK Q14680 2/20 0.44
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.44
MKNK2 Q9HBH9 2/20 0.43
GRM4 Q14833 2/20 0.42
CYP2A6 P11509 1/20 0.42
PDE10A Q9Y233 1/20 0.41
KDR P35968 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
SCHEMBL5667022 0.93 GRM5 (0.68) GRM5MKNK1HTR1AHTR7GRM4
SCHEMBL5667534 0.90 GRM5 (0.71) GRM5MKNK1HTR1AHTR7GRM4
SCHEMBL5670076 0.88 GRM5 (0.62) GRM5MKNK1HTR1AHTR7MKNK2
SCHEMBL5662955 0.84 GRM5 (0.51) GRM5MKNK1MKNK2GRM4PDE10A
SCHEMBL15945076 0.81 GRM5 (0.66) GRM5GRM4CYP2A6PDE10AKDR
SCHEMBL3919683 0.81 GRM5 (0.67) GRM5MKNK1HTR1AHTR7GRM4
SCHEMBL3921029 0.81 GRM5 (0.67) GRM5MKNK1HTR1AHTR7GRM4
SCHEMBL30795074 0.81 GRM5 (0.67) GRM5MKNK1HTR1AHTR7GRM4
SCHEMBL3924775 0.81 GRM5 (0.62) GRM5MKNK1HTR1AHTR7MKNK2
SCHEMBL30795898 0.81 GRM5 (0.62) GRM5MKNK1HTR1AHTR7MKNK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100387594-C Di-aryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO INC (US) 2008-05-14 CN claimed
US-20060194807-A1 Di-aryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. 2006-08-31 US claimed
CN-1795184-A Di-aryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO INC (US) 2006-06-28 CN claimed
EP-1613614-A2 DI-ARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2006-01-11 EP claimed
WO-2004089303-A2 DI-ARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2004-10-21 WO claimed
WO-2004089303-A2 DI-ARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2004-10-21 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-20060194807-A1 Di-aryl substituted pyrazole modulators of metabotropic glutamate receptor-5 GRM5, GRM1, GRIK5 GRM5 1/4885MKNK1 2084/4885MELK 1415/4885

“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.