Sugi Predict

Sugi Predict / Compounds / SCHEMBL369836

SCHEMBL369836

SCHEMBL369836

Cc1ccnc(Nc2nc(-c3c[nH]nc3-c3ccccc3OC(F)(F)F)cs2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.41
▸ KMT2A Q03164 7/20 0.41
▸ ATM Q13315 1/20 0.41
▸ SCN9A Q15858 3/20 0.40
▸ NPC1 O15118 7/20 0.39
▸ RAB9A P51151 7/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ PKM P14618 1/20 0.39
▸ MPL P40238 2/20 0.39
▸ SENP8 Q96LD8 2/20 0.38
▸ SENP7 Q9BQF6 2/20 0.38
▸ SENP6 Q9GZR1 2/20 0.38
▸ MAPT P10636 4/20 0.37
▸ GRM4 Q14833 2/20 0.37
▸ GRM8 O00222 1/20 0.37
▸ TRPV4 Q9HBA0 1/20 0.36
▸ VCP P55072 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ NFKB1 P19838 2/20 0.36

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
SCHEMBL15166591 0.89 VCP (0.47) MEN1KMT2AATMNPC1RAB9A
SCHEMBL15166710 0.87 MAPT (0.45) MEN1KMT2AATMNPC1RAB9A
SCHEMBL12482631 0.86 VCP (0.43) MEN1KMT2AATMNPC1RAB9A
SCHEMBL369982 0.86 KMT2A (0.49) MEN1KMT2AATMNPC1RAB9A
SCHEMBL369556 0.84 RAB9A (0.45) MEN1KMT2AATMNPC1RAB9A
SCHEMBL368784 0.84 NPC1 (0.44) MEN1KMT2AATMNPC1RAB9A
SCHEMBL370036 0.83 RAB9A (0.52) MEN1KMT2AATMNPC1RAB9A
SCHEMBL15166813 0.82 MEN1 (0.50) MEN1KMT2AATMNPC1RAB9A
SCHEMBL370282 0.81 NPC1 (0.44) MEN1KMT2AATMNPC1RAB9A
SCHEMBL370966 0.81 GRM4 (0.45) MEN1KMT2AATMNPC1RAB9A

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 MEN1 4364/4885KMT2A 1336/4885ATM 3185/4885

“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.