SCHEMBL2267508

SCHEMBL2267508

Fc1cccc(Nc2csc(-c3cn[nH]c3)n2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 3/20 0.42
KCNH2 Q12809 1/20 0.42
ILK Q13418 1/20 0.38
DNM1L O00429 2/20 0.36
CHEK1 O14757 1/20 0.36
FYN P06241 1/20 0.35
AKT1 P31749 1/20 0.34
AKT2 P31751 1/20 0.34
PDE4B Q07343 2/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
AURKB Q96GD4 1/20 0.33
ROCK2 O75116 2/20 0.32
ROCK1 Q13464 1/20 0.32
MAPK14 Q16539 1/20 0.32
MAPK1 P28482 1/20 0.32
CDK5 Q00535 2/20 0.31
CDK5R1 Q15078 2/20 0.31
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31

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
SCHEMBL2282215 0.85 MEN1 (0.43) GRM4KCNH2ILKDNM1LMEN1
SCHEMBL2275165 0.81 GRM4 (0.64) GRM4KCNH2ILKCHEK1FYN
SCHEMBL367354 0.79 GRM4 (0.68) GRM4KCNH2MAPK1MEN1NPC1
SCHEMBL2279325 0.76 GRM4 (0.48) GRM4KCNH2ILKDNM1LCHEK1
SCHEMBL368114 0.73 GRM4 (0.53) GRM4KCNH2ILKPDE4BAURKB
SCHEMBL369775 0.72 GRM4 (0.69) GRM4KCNH2PDE4BAURKBMEN1
SCHEMBL2281224 0.70 GRM4 (0.58) GRM4KCNH2ILKDNM1LCHEK1
SCHEMBL12482364 0.69 GRM4 (0.53) GRM4KCNH2AURKBMEN1NPC1
SCHEMBL2278002 0.68 GRM4 (0.43) GRM4KCNH2ROCK2ROCK1CCNA2
SCHEMBL29859845 0.66 KCNH2 (0.48) GRM4KCNH2ILKAKT1AKT2

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 1/4885KCNH2 1553/4885ILK 4290/4885

“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.