SCHEMBL2278002

SCHEMBL2278002

COc1ccnc(Nc2csc(-c3cn[nH]c3)n2)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 4/20 0.43
GRM8 O00222 1/20 0.42
MAPK8 P45983 1/20 0.40
KCNH2 Q12809 1/20 0.39
PLK1 P53350 1/20 0.37
CYP19A1 P11511 3/20 0.37
HTR3A P46098 1/20 0.34
ROCK2 O75116 4/20 0.34
ROCK1 Q13464 2/20 0.34
MKNK1 Q9BUB5 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
PDE2A O00408 1/20 0.34
PDE10A Q9Y233 1/20 0.34
AURKA O14965 1/20 0.34
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
TTK P33981 1/20 0.34
KDR P35968 1/20 0.34
SYK P43405 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
SCHEMBL2281224 0.86 GRM4 (0.58) GRM4GRM8MAPK8KCNH2PLK1
SCHEMBL2279325 0.82 GRM4 (0.48) GRM4GRM8MAPK8KCNH2PLK1
SCHEMBL367423 0.79 GRM4 (0.58) GRM4GRM8MAPK8KCNH2
SCHEMBL2275165 0.74 GRM4 (0.64) GRM4KCNH2
SCHEMBL20514476 0.72 SYK (0.60) GRM4GRM8MAPK8PLK1ROCK2
SCHEMBL2282215 0.71 MEN1 (0.43) GRM4GRM8KCNH2KDR
SCHEMBL2267508 0.68 GRM4 (0.42) GRM4KCNH2ROCK2ROCK1CCNA2
SCHEMBL22971345 0.67 MEN1 (0.44) GRM4HTR3AAURKASYK
SCHEMBL367343 0.64 GRM4 (0.64) GRM4GRM8MAPK8KCNH2
SCHEMBL29545204 0.64 MEN1 (0.40) GRM4HTR3ACCNA2CDK2KDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8604033-B2 Preparation of 4-amino-thiazoles and 3-amino-1,2,4-thiadiazoles and their use as allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-12-10 US claimed
US-20120316188-A1 PREPARATION OF 4-AMINO-THIAZOLES AND 3-AMINO-1,2,4-THIADIAZOLES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS BOLEA CHRISTELLE (CH) 2012-12-13 US claimed
EP-2523953-A1 PREPARATION OF 4-AMINO-THIAZOLES AND 3-AMINO-1,2,4-THIADIAZOLES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2012-11-21 EP claimed
WO-2011086163-A1 PREPARATION OF 4-AMINO-THIAZOLES AND 3-AMINO-1,2,4-THIADIAZOLES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2011-07-21 WO claimed
US-8604033-B2 Preparation of 4-amino-thiazoles and 3-amino-1,2,4-thiadiazoles and their use as allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2013-12-10 US disclosed
US-20120316188-A1 PREPARATION OF 4-AMINO-THIAZOLES AND 3-AMINO-1,2,4-THIADIAZOLES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS BOLEA CHRISTELLE (CH) 2012-12-13 US disclosed
EP-2523953-A1 PREPARATION OF 4-AMINO-THIAZOLES AND 3-AMINO-1,2,4-THIADIAZOLES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2012-11-21 EP disclosed
WO-2011086163-A1 PREPARATION OF 4-AMINO-THIAZOLES AND 3-AMINO-1,2,4-THIADIAZOLES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2011-07-21 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-20120316188-A1 PREPARATION OF 4-AMINO-THIAZOLES AND 3-AMINO-1,2,4-THIADIAZOLES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM1, GRM2 GRM4 1/4885GRM8 24/4885MAPK8 2912/4885

“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.