SCHEMBL370888

SCHEMBL370888

COc1ccc(Cn2cc(-c3nc(NC(=O)O)sc3Br)cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.46
POLQ O75417 1/20 0.45
KLKB1 P03952 1/20 0.42
ACHE P22303 1/20 0.41
POLB P06746 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
KDM4E B2RXH2 2/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ADORA1 P30542 2/20 0.41
ADORA2A P29274 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL370566 0.89 HDAC3 (0.46) L3MBTL1POLQKLKB1ACHEPOLB
SCHEMBL369622 0.88 GSK3A (0.48) L3MBTL1POLQKLKB1POLBPKM
SCHEMBL369597 0.80 APP (0.56) L3MBTL1ACHEPOLBPKMHTT
SCHEMBL2510554 0.79 MEN1 (0.45) L3MBTL1POLQHTTSMN1; SMN2ALDH1A1
SCHEMBL370553 0.79 HDAC3 (0.43) L3MBTL1ACHEPOLBPKMHTT
SCHEMBL2280071 0.76 L3MBTL1 (0.48) L3MBTL1POLQKLKB1SMN1; SMN2ALDH1A1
SCHEMBL1051534 0.76 ADORA2A (0.44) L3MBTL1KLKB1HSD17B10MEN1KMT2A
SCHEMBL4877872 0.75 LMNA (0.48) SMN1; SMN2ALDH1A1MAPTKDM4ELMNA
SCHEMBL2533388 0.74 GRM4 (0.37) L3MBTL1KLKB1ACHEHTTSMN1; SMN2
SCHEMBL369300 0.73 L3MBTL1 (0.44) L3MBTL1KLKB1POLBPKMHSD17B10

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 L3MBTL1 4265/4885POLQ 4712/4885KLKB1 4382/4885

“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.