SCHEMBL5205462

SCHEMBL5205462

c1ccc(-n2ncc(-c3cccc(Nc4cccnc4)c3)n2)nc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 3/20 0.58
KDR P35968 2/20 0.41
KIF11 P52732 1/20 0.40
ABL1 P00519 5/20 0.39
BCR P11274 4/20 0.39
SRC P12931 2/20 0.39
MAPT P10636 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GLA P06280 1/20 0.38
CYP2A6 P11509 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PRKCA P17252 2/20 0.37
PRKCD Q05655 2/20 0.37
EGFR P00533 2/20 0.37

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
SCHEMBL4197671 0.84 GRM5 (0.64) GRM5CYP2A6MEN1
SCHEMBL5473528 0.79 GRM5 (0.70) GRM5KDRCYP2A6
SCHEMBL5202900 0.78 MIF (0.42) GRM5KDRKIF11ABL1BCR
SCHEMBL14409173 0.78 GRM5 (0.57) GRM5KDRKIF11ABL1BCR
SCHEMBL5202470 0.76 GRM5 (0.67) GRM5MAPTPIK3CAPIK3CG
SCHEMBL5204644 0.73 GRM5 (1.00) GRM5
SCHEMBL4908113 0.72 KIF11 (0.57) KDRKIF11ABL1MAPTNPC1
SCHEMBL5204260 0.71 GRM5 (0.54) GRM5
SCHEMBL8353812 0.69 GRM5 (0.53) GRM5KDM4EDRD2DRD4DRD3
SCHEMBL30103987 0.69 CNR1 (0.56) ABL1BCRMAPTNPC1RAB9A

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
EP-1458708-B1 HETEROARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2007-09-26 EP claimed
US-7105548-B2 Heteroaryl substituted triazole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2006-09-12 US claimed
EP-1458708-A4 HETEROARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2005-11-16 EP claimed
US-20050020585-A1 Heteroaryl substituted triazole modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2005-01-27 US claimed
EP-1458708-A2 HETEROARYL SUBSTITUTED TRIAZOLE 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-2003051315-A2 HETEROARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2003-06-26 WO claimed
EP-1458708-B1 HETEROARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2007-09-26 EP disclosed
US-7105548-B2 Heteroaryl substituted triazole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2006-09-12 US disclosed
US-20050020585-A1 Heteroaryl substituted triazole modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2005-01-27 US disclosed
WO-2003051315-A2 HETEROARYL SUBSTITUTED TRIAZOLE 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-20050020585-A1 Heteroaryl substituted triazole modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRIN3A GRM5 1/4885KDR 3896/4885KIF11 3301/4885

“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.