SCHEMBL2282154

SCHEMBL2282154

COc1ccc(Cn2cc(-c3nc(NC(=O)OC(C)(C)C)cs3)cn2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
CACNA1H O95180 3/20 0.42
SCD O00767 1/20 0.41
ROCK1 Q13464 2/20 0.41
CHEK1 O14757 1/20 0.41
KLKB1 P03952 2/20 0.40
MKNK2 Q9HBH9 2/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39
ADORA1 P30542 1/20 0.39
GSK3B P49841 1/20 0.39
DYRK1A Q13627 1/20 0.39
ERCC5 P28715 1/20 0.38
CDK2 P24941 2/20 0.38

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
SCHEMBL2280071 0.88 L3MBTL1 (0.48) L3MBTL1CACNA1HROCK1CHEK1KLKB1
SCHEMBL370276 0.83 MAPT (0.49) HDAC3HDAC8NCOR2L3MBTL1ROCK1
SCHEMBL31341125 0.81 AR (0.41) HDAC3HDAC8NCOR2SCDGSK3B
SCHEMBL31341099 0.80 GSK3B (0.40) HDAC3HDAC8NCOR2SCDROCK1
SCHEMBL370566 0.79 HDAC3 (0.46) HDAC3HDAC8NCOR2L3MBTL1CACNA1H
SCHEMBL2275052 0.78 ALDH1A1 (0.47) L3MBTL1CHEK1KLKB1KDM4EALDH1A1
SCHEMBL370553 0.78 HDAC3 (0.43) HDAC3HDAC8NCOR2L3MBTL1CACNA1H
SCHEMBL31708330 0.77 TLR7 (0.46) L3MBTL1CHEK1KLKB1KDM4EALDH1A1
SCHEMBL2277599 0.76 CDC25A (0.45) L3MBTL1KLKB1KDM4EALDH1A1HPGD
SCHEMBL2275225 0.76 RAB9A (0.47) L3MBTL1KDM4EALDH1A1ADORA2AADORA2B

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 4 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 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 HDAC3 1289/4885HDAC8 2528/4885NCOR2 421/4885

“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.