SCHEMBL5104615

SCHEMBL5104615

N#Cc1cccc(-c2ccn(-c3ccccn3)c2)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 13/20 1.00
CLK4 Q9HAZ1 2/20 0.51
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
ALOX15 P16050 3/20 0.48
CYP2C19 P33261 3/20 0.48
HSD17B10 Q99714 3/20 0.48
CYP2D6 P10635 2/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A3 P47895 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL5226124 0.84 GRM5 (0.72) GRM5CLK4CYP1A2CYP3A4ALOX15
SCHEMBL5100385 0.79 GRM5 (0.65) GRM5ALDH1A1
SCHEMBL3923401 0.77 GRM5 (1.00) GRM5CLK4
SCHEMBL5201721 0.77 GRM5 (1.00) GRM5CLK4CYP1A2CYP3A4ALOX15
SCHEMBL5201644 0.76 GRM5 (0.67) GRM5CLK4CYP1A2CYP3A4ALOX15
SCHEMBL5114264 0.76 GRM5 (0.61) GRM5CLK4CYP1A2CYP3A4CYP2C19
SCHEMBL3922673 0.75 GRM5 (1.00) GRM5CLK4CYP1A2CYP3A4ALOX15
SCHEMBL5100840 0.75 GRM5 (1.00) GRM5ALDH1A1
SCHEMBL18411435 0.72 GRM5 (0.62) GRM5CLK4ALDH1A1
SCHEMBL18411315 0.72 GRM5 (0.62) GRM5CLK4ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7371767-B2 Heteroaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2008-05-13 US claimed
US-20050085514-A1 Heteroaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2005-04-21 US claimed
EP-1458710-A4 HETEROARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2005-04-20 EP claimed
EP-1458710-A1 HETEROARYL SUBSTITUTED PYRROLE 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-2003059904-A1 HETEROARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2003-07-24 WO claimed
US-7371767-B2 Heteroaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 MERCK & CO., INC. (US) 2008-05-13 US disclosed
US-20050085514-A1 Heteroaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2005-04-21 US disclosed
EP-1458710-A4 HETEROARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2005-04-20 EP disclosed
EP-1458710-A1 HETEROARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 Merck & Co., Inc. (US) 2004-09-22 EP disclosed
WO-2004030637-A2 TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE MERCK & CO., INC. (US) 2004-04-15 WO disclosed
WO-2003059904-A1 HETEROARYL SUBSTITUTED PYRROLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO., INC. (US) 2003-07-24 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-20050085514-A1 Heteroaryl substituted pyrrole modulators of metabotropic glutamate receptor-5 GRM5, GRIK5, GRIN2C GRM5 1/4885CLK4 1788/4885CYP1A2 2361/4885

“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.