SCHEMBL369428

SCHEMBL369428

c1ccc(Nc2nc(-c3cn[nH]c3)c(N3CCOCC3)s2)nc1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 5/20 0.62
KCNH2 Q12809 3/20 0.51
CHEK1 O14757 1/20 0.48
ATR Q13535 1/20 0.44
FYN P06241 1/20 0.41
PIK3CA P42336 3/20 0.41
LRRK2 Q5S007 3/20 0.41
PDE10A Q9Y233 1/20 0.40
GRM8 O00222 1/20 0.40
ROCK2 O75116 1/20 0.40
PTK6 Q13882 1/20 0.40
MAPKAPK5 Q8IW41 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PRKD1 Q15139 1/20 0.39
PRKD2 Q9BZL6 1/20 0.39

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
SCHEMBL370857 0.91 GRM4 (0.66) GRM4KCNH2CHEK1FYNGRM8
SCHEMBL369153 0.90 GRM4 (0.65) GRM4KCNH2CHEK1FYNGRM8
SCHEMBL371256 0.85 GRM4 (0.59) GRM4KCNH2CHEK1ATRPIK3CA
SCHEMBL15166602 0.83 GRM4 (0.59) GRM4KCNH2CHEK1FYNGRM8
SCHEMBL370843 0.81 GRM4 (0.54) GRM4KCNH2CHEK1FYNGRM8
SCHEMBL2532786 0.78 GRM4 (0.76) GRM4KCNH2FYNGRM8
SCHEMBL366756 0.77 GRM4 (0.74) GRM4KCNH2FYNGRM8
SCHEMBL367234 0.77 GRM4 (0.74) GRM4KCNH2FYNGRM8
SCHEMBL369152 0.77 GRM4 (1.00) GRM4KCNH2FYNGRM8
SCHEMBL369257 0.76 GRM4 (0.73) GRM4KCNH2FYNGRM8ROCK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9073907-B2 Thiazoles derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2015-07-07 US claimed
EP-2376486-B1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2013-11-06 EP claimed
US-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS BOLEA CHRISTELLE (CH) 2013-08-15 US claimed
US-20110257179-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2011-10-20 US claimed
US-9073907-B2 Thiazoles derivatives and their use as positive allosteric modulators of metabotropic glutamate receptors ADDEX PHARMA S.A. (CH) 2015-07-07 US disclosed
EP-2376486-B1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMACEUTICALS SA (CH) 2013-11-06 EP disclosed
US-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS BOLEA CHRISTELLE (CH) 2013-08-15 US disclosed
EP-2595986-A2 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS Addex Pharma SA (CH) 2013-05-29 EP disclosed
WO-2012009009-A2 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA S.A. (CH) 2012-01-19 WO disclosed
US-20110257179-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS ADDEX PHARMA SA (CH) 2011-10-20 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 (2 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-20110257179-A1 NOVEL THIAZOLES DERIVATIVES AND THEIR USE AS POSITIVE ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM4, GRM2, GRM1 GRM4 1/4885KCNH2 1489/4885CHEK1 4723/4885
US-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM4, GRM1 GRM4 2/4885KCNH2 1516/4885CHEK1 4678/4885

“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.