SCHEMBL5201644

SCHEMBL5201644

N#Cc1cccc(-c2cn(-c3ccccn3)nn2)c1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 14/20 0.67
CLK4 Q9HAZ1 1/20 0.49
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
TSHR P16473 1/20 0.45
HTT P42858 1/20 0.45
GABRA1 P14867 1/20 0.45
GABRG2 P18507 1/20 0.45
GABRB3 P28472 1/20 0.45
GABRA5 P31644 1/20 0.45
GABRA3 P34903 1/20 0.45
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 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
SCHEMBL5473306 0.82 FLT3 (0.48) GRM5
SCHEMBL5205029 0.81 GRM5 (0.46) GRM5GABRA1GABRG2GABRB3GABRA5
Hydrochloric Acid SCHEMBL5202441 0.81 GRM5 (0.45) GRM5GABRA1GABRG2GABRB3GABRA5
SCHEMBL3922673 0.81 GRM5 (1.00) GRM5CLK4KDM4EALDH1A1MAPT
SCHEMBL8354347 0.80 HSD17B1 (0.62) GRM5MAPT
SCHEMBL2391955 0.80 GRM5 (0.67) GRM5MAPTGABRA1GABRG2GABRB3
SCHEMBL5226124 0.79 GRM5 (0.72) GRM5CLK4ALDH1A1CYP1A2CYP3A4
SCHEMBL3923401 0.78 GRM5 (1.00) GRM5CLK4GABRA1GABRG2GABRB3
SCHEMBL5204805 0.77 KEAP1 (0.51) GRM5
SCHEMBL5469881 0.77 MIF (0.49) GRM5CYP3A4CYP2C19

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 18 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
CN-115050915-A Organic electroluminescent device 长春海谱润斯科技股份有限公司 2022-09-13 CN disclosed
CN-114989021-A Fluorene-containing triarylamine derivative and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2022-09-02 CN disclosed
US-20220112996-A1 JEWELRY AND GEM STONE LIGHTING SYSTEMS AND APPARATUSES AND METHOD MAKING AND USING SAME ASHLEY PAUL (US) 2022-04-14 US disclosed
EP-3445136-B1 ORGANIC ELECTROLUMINESCENT ELEMENT AND LIGHTING DEVICE XIANYANG CHVT NEW DISPLAY TECH CO LTD (CN) 2022-02-23 EP disclosed
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
EP-1458708-A4 HETEROARYL SUBSTITUTED TRIAZOLE MODULATORS OF METABOTROPIC GLUTAMATE RECEPTOR-5 MERCK & CO INC (US) 2005-11-16 EP disclosed
US-20050020585-A1 Heteroaryl substituted triazole modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2005-01-27 US disclosed
EP-1458708-A2 HETEROARYL SUBSTITUTED TRIAZOLE 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-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 1/4885CLK4 1137/4885KDM4E 2329/4885

“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.