SCHEMBL369622

SCHEMBL369622

COc1ccc(Cn2cc(-c3nc(NC(=O)O)sc3C(C)=O)cn2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 1/20 0.48
GSK3B P49841 1/20 0.48
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
LMNA P02545 2/20 0.46
RAB9A P51151 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
POLB P06746 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ADORA3 P0DMS8 4/20 0.44
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
ADORA1 P30542 4/20 0.43
POLQ O75417 1/20 0.43

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
SCHEMBL370888 0.88 L3MBTL1 (0.46) GSK3AGSK3BKMT2AMEN1LMNA
SCHEMBL370553 0.88 HDAC3 (0.43) GSK3AGSK3BKMT2AMEN1LMNA
SCHEMBL369661 0.84 GRM8 (0.41) GSK3AGSK3BKMT2AMEN1LMNA
SCHEMBL369300 0.84 L3MBTL1 (0.44) KMT2AMEN1RAB9AL3MBTL1POLB
SCHEMBL15166589 0.80 L3MBTL1 (0.40) KMT2AMEN1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL369597 0.80 APP (0.56) KMT2AMEN1LMNARAB9ANPSR1
SCHEMBL370880 0.79 GSK3A (0.44) GSK3AGSK3BKMT2AMEN1LMNA
SCHEMBL370566 0.77 HDAC3 (0.46) KMT2ALMNARAB9AL3MBTL1SMN1; SMN2
SCHEMBL2280071 0.76 L3MBTL1 (0.48) RAB9AL3MBTL1SMN1; SMN2ALDH1A1KDM4E
SCHEMBL16780405 0.73 NTRK1 (0.50) KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20130210809-A1 NOVEL 2-AMINO-4-PYRAZOLYL-THIAZOLE DERIVATIVES AND THEIR USE AS ALLOSTERIC MODULATORS OF METABOTROPIC GLUTAMATE RECEPTORS GRM2, GRM4, GRM1 GSK3A 2593/4885GSK3B 2654/4885KMT2A 1336/4885

“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.