SCHEMBL3922684

SCHEMBL3922684

FC(F)(F)Oc1cccc(-n2cc(-c3ccccn3)cn2)c1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.60
RXRA P19793 6/20 0.48
GRIN1 Q05586 6/20 0.48
GRIN2B Q13224 6/20 0.48
MKNK1 Q9BUB5 4/20 0.44
RUNX1 Q01196 1/20 0.43
CBFB Q13951 1/20 0.43
DYRK1A Q13627 1/20 0.43
KCNH2 Q12809 2/20 0.43
PDE10A Q9Y233 2/20 0.42
GRM4 Q14833 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
SCHEMBL30794811 1.00 GRM5 (0.60) GRM5RXRAGRIN1GRIN2BMKNK1
SCHEMBL5216316 0.86 MKNK1 (0.48) GRM5RXRAGRIN1GRIN2BMKNK1
SCHEMBL30795888 0.84 GRM5 (0.64) GRM5MKNK1KCNH2GRM4
SCHEMBL3917676 0.84 GRM5 (0.64) GRM5MKNK1KCNH2GRM4
SCHEMBL5216682 0.82 FGFR1 (0.49) GRM5RXRAGRIN1GRIN2BMKNK1
SCHEMBL5667534 0.82 GRM5 (0.71) GRM5MKNK1KCNH2PDE10AGRM4
SCHEMBL30795074 0.81 GRM5 (0.67) GRM5RXRAGRIN1GRIN2BMKNK1
SCHEMBL3921029 0.81 GRM5 (0.67) GRM5RXRAGRIN1GRIN2BMKNK1
SCHEMBL5215983 0.80 MKNK1 (0.42) GRM5RXRAGRIN1GRIN2BMKNK1
SCHEMBL5667022 0.79 GRM5 (0.68) GRM5MKNK1KCNH2PDE10AGRM4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569592-B2 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2009-08-04 US claimed
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
EP-1458383-B1 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2007-11-21 EP disclosed
WO-2003051833-A2 HETEROARYL SUBSTITUTED PYRAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2003-06-26 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-20050026963-A1 Heteroaryl substituted pyrazole modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRIN2C GRM5 1/4885RXRA 325/4885GRIN1 14/4885

“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.