SCHEMBL5201392

SCHEMBL5201392

Fc1cc(Oc2cccnc2)cc(-c2cn(-c3ccccn3)nn2)c1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 6/20 0.53
FFAR4 Q5NUL3 3/20 0.47
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
FLT3 P36888 2/20 0.38
LMNA P02545 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
MIF P14174 1/20 0.37
CYP1B1 Q16678 1/20 0.35
LTA4H P09960 1/20 0.34

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
SCHEMBL3930270 0.83 FFAR4 (0.49) GRM5FFAR4CYP11B1CYP11B2LMNA
SCHEMBL8354775 0.81 GRM5 (0.66) GRM5FFAR4FLT3MIF
SCHEMBL5204260 0.80 GRM5 (0.54) GRM5FFAR4CYP11B1CYP11B2LMNA
SCHEMBL5469881 0.76 MIF (0.49) GRM5CYP11B1CYP11B2MIF
SCHEMBL13989138 0.74 GRM5 (0.53) GRM5FFAR4CYP11B1CYP11B2LMNA
SCHEMBL13606235 0.73 FFAR4 (0.56) GRM5FFAR4CYP11B1CYP11B2LMNA
SCHEMBL30796326 0.72 GRM5 (0.60) GRM5FFAR4CYP11B1CYP11B2LMNA
SCHEMBL3924675 0.72 GRM5 (0.60) GRM5FFAR4CYP11B1CYP11B2LMNA
SCHEMBL5202900 0.72 MIF (0.42) GRM5MIF
SCHEMBL13989137 0.71 FFAR4 (0.46) GRM5FFAR4CYP11B1CYP11B2LMNA

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 7 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
US-20050020585-A1 Heteroaryl substituted triazole modulators of metabotropic glutamate receptor-5 MERCK SHARP & DOHME CORP. 2005-01-27 US claimed
WO-2004030637-A2 TREATMENT OF OBESITY AND OTHER DISORDERS ASSOCIATED WITH EXCESSIVE FOOD INTAKE MERCK & CO., INC. (US) 2004-04-15 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

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 1/4885FFAR4 571/4885CYP11B1 503/4885

“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.