SCHEMBL5662955

SCHEMBL5662955

c1ccc(-c2cccc(-n3cc(-c4ccncn4)cn3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 1/20 0.51
MKNK1 Q9BUB5 9/20 0.45
GRM4 Q14833 6/20 0.45
DHFR P00374 1/20 0.43
MKNK2 Q9HBH9 1/20 0.41
HTR2B P41595 1/20 0.41
MTNR1A P48039 1/20 0.41
KCNH2 Q12809 1/20 0.41
PDE10A Q9Y233 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL5668065 0.88 GRM4 (0.48) GRM5MKNK1GRM4HTR2BMTNR1A
SCHEMBL5667022 0.85 GRM5 (0.68) GRM5MKNK1GRM4DHFRHTR2B
SCHEMBL8354922 0.84 GRM5 (0.48) GRM5MKNK1GRM4DHFRMKNK2
SCHEMBL5669963 0.84 GRM5 (0.64) GRM5MKNK1GRM4MKNK2PDE10A
SCHEMBL181902 0.83 MEN1 (0.56) GRM5MKNK1GRM4MKNK2MEN1
SCHEMBL5216814 0.82 GRM5 (0.45) GRM5MKNK1GRM4MKNK2PDE10A
SCHEMBL5221277 0.81 GRM5 (0.46) GRM5MKNK1GRM4MKNK2PDE10A
SCHEMBL12410593 0.81 CYP2A6 (0.47) GRM5MKNK1GRM4MKNK2HTR2B
SCHEMBL5216316 0.79 MKNK1 (0.48) GRM5MKNK1MKNK2KCNH2
SCHEMBL5667534 0.79 GRM5 (0.71) GRM5MKNK1GRM4DHFRHTR2B

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-20060194807-A1 Di-aryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. 2006-08-31 US 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

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 2084/4885GRM4 15/4885

“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.