SCHEMBL3934307

SCHEMBL3934307

N#Cc1cc(-n2cc(-c3ccccn3)cn2)ccn1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.70
CHEK1 O14757 1/20 0.44
IRAK4 Q9NWZ3 1/20 0.41
PDE10A Q9Y233 2/20 0.41
GRIA1 P42261 1/20 0.39
GRIA3 P42263 1/20 0.39
PDE4D Q08499 1/20 0.39
ACVR1B P36896 1/20 0.39
TGFBR1 P36897 1/20 0.39
GRM4 Q14833 3/20 0.38
KDR P35968 1/20 0.38
HTR2B P41595 1/20 0.38
MTNR1A P48039 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL30795243 0.82 GRM5 (1.00) GRM5IRAK4
SCHEMBL3922456 0.82 GRM5 (1.00) GRM5IRAK4
SCHEMBL8354315 0.80 GRM5 (0.60) GRM5PDE10AACVR1BTGFBR1GRM4
SCHEMBL30795915 0.79 GRM5 (0.65) GRM5IRAK4PDE10AGRIA1GRIA3
SCHEMBL5217879 0.79 GRM5 (0.76) GRM5IRAK4PDE10A
SCHEMBL5667534 0.78 GRM5 (0.71) GRM5PDE10AGRM4KDRHTR2B
SCHEMBL3929725 0.78 GRM5 (0.60) GRM5CHEK1IRAK4PDE10AGRM4
SCHEMBL15945076 0.77 GRM5 (0.66) GRM5PDE10AGRM4KDRHTR2B
SCHEMBL3931395 0.77 GRM5 (0.72) GRM5IRAK4
SCHEMBL5669784 0.76 GRM5 (0.60) GRM5PDE10AGRM4KDRHTR2B

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 9 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

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 1/4885CHEK1 4231/4885IRAK4 2589/4885

“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.