SCHEMBL5203630

SCHEMBL5203630

Clc1cccc(-n2cnc(-c3ccccn3)n2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.66
SMN1; SMN2 Q16637 2/20 0.46
NPC1 O15118 1/20 0.46
MITF O75030 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
NOTUM Q6P988 1/20 0.44
IDO1 P14902 1/20 0.44
POLB P06746 1/20 0.44
FLT3 P36888 1/20 0.44
GSK3B P49841 1/20 0.44
ATM Q13315 1/20 0.44
ALDH1A1 P00352 1/20 0.43
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PRKCZ Q05513 1/20 0.43
GFER P55789 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
SCHEMBL5202469 0.80 GRM5 (1.00) GRM5MAPTTSHRALDH1A1
SCHEMBL3929992 0.78 GRM5 (0.65) GRM5SMN1; SMN2NPC1MITFTP53
SCHEMBL4700304 0.76 GRM5 (0.85) GRM5
SCHEMBL3760961 0.75 GRM5 (0.56) GRM5SMN1; SMN2NPC1TP53MAPT
SCHEMBL5202573 0.74 FLT3 (0.72) GRM5NOTUMFLT3GSK3BCCR1
SCHEMBL6175078 0.74 GRM5 (0.64) GRM5SMN1; SMN2NPC1MITFTP53
SCHEMBL7152205 0.73 GRM5 (0.54) GRM5SMN1; SMN2NPC1TP53PKM
SCHEMBL10361336 0.72 NOTUM (0.47) SMN1; SMN2MAPTPKMTSHRNOTUM
SCHEMBL16202012 0.72 NOTUM (0.47) SMN1; SMN2NPC1MAPTPKMRAB9A
SCHEMBL6167715 0.71 GRM5 (0.81) GRM5MAPTTSHRALDH1A1

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 13 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
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
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 1/4885SMN1; SMN2 3879/4885NPC1 3627/4885

“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.