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SCHEMBL369508

SCHEMBL369508

COCc1n[nH]cc1-c1csc(Nc2nc(C)ccc2F)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 10/20 0.37
▸ MEN1 O00255 9/20 0.37
▸ KMT2A Q03164 9/20 0.37
▸ NPC1 O15118 8/20 0.37
▸ CASP3 P42574 2/20 0.37
▸ SENP8 Q96LD8 2/20 0.37
▸ SENP7 Q9BQF6 2/20 0.37
▸ SENP6 Q9GZR1 2/20 0.37
▸ ATM Q13315 1/20 0.37
▸ VCP P55072 2/20 0.35
▸ GAA P10253 4/20 0.35
▸ POLB P06746 2/20 0.35
▸ CYP1B1 Q16678 2/20 0.35
▸ CYP1A1 P04798 1/20 0.35
▸ ALDH1A1 P00352 5/20 0.34
▸ USP2 O75604 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ MAPT P10636 5/20 0.34
▸ TDP1 Q9NUW8 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33

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
SCHEMBL2534001 0.80 MEN1 (0.42) RAB9AMEN1KMT2ANPC1CASP3
SCHEMBL370423 0.78 NPC1 (0.41) RAB9AMEN1KMT2ANPC1CASP3
SCHEMBL370677 0.78 RAB9A (0.37) RAB9AMEN1KMT2ANPC1ATM
SCHEMBL370842 0.74 GRM4 (0.55) RAB9AMEN1KMT2ANPC1CASP3
SCHEMBL370580 0.73 NPC1 (0.36) RAB9AMEN1KMT2ANPC1CASP3
SCHEMBL2538671 0.72 NPC1 (0.44) RAB9AMEN1KMT2ANPC1CASP3
SCHEMBL15166609 0.72 MEN1 (0.39) RAB9AMEN1KMT2ANPC1CASP3
SCHEMBL370612 0.70 MEN1 (0.41) RAB9AMEN1KMT2ANPC1SENP8
SCHEMBL2530393 0.66 OPRM1 (0.56) RAB9AMEN1KMT2ANPC1CASP3
SCHEMBL2535683 0.66 PKM (0.47) RAB9AMEN1KMT2ANPC1CASP3

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 6 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 claimed
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 claimed
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 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 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 RAB9A 2094/4885MEN1 4364/4885KMT2A 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.