SCHEMBL370431

SCHEMBL370431

COc1ccc(Cn2cc(-c3cccc(C#N)c3)c(-c3csc(Nc4ncccn4)n3)n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1B1 Q16678 1/20 0.47
TGFBR1 P36897 4/20 0.46
DYRK1A Q13627 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
ROCK2 O75116 1/20 0.41
MAPK14 Q16539 3/20 0.40
ALK Q9UM73 1/20 0.40
RAB9A P51151 6/20 0.40
NPC1 O15118 5/20 0.40
ACVR1 Q04771 1/20 0.40
PTGDR Q13258 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
MAPT P10636 3/20 0.39
NFKB1 P19838 3/20 0.39
NFKB2 Q00653 3/20 0.39
RELA Q04206 3/20 0.39

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
SCHEMBL370056 0.85 TGFBR1 (0.45) CYP1A2CYP1A1CYP1B1TGFBR1DYRK1A
SCHEMBL370879 0.78 MEN1 (0.44) CYP1A2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL370525 0.77 KMT2A (0.46) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL2512904 0.76 RAB9A (0.44) CYP1A2CYP1A1CYP1B1MAPK14RAB9A
SCHEMBL2533440 0.74 RAB9A (0.51) CYP1A2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL368961 0.74 SMN1; SMN2 (0.48) CYP1A2CYP1A1CYP1B1CLK4ROCK2
SCHEMBL2510097 0.74 NPC1 (0.56) RAB9ANPC1SMN1; SMN2MEN1KMT2A
SCHEMBL12482062 0.71 MEN1 (0.51) CYP1A2CYP1A1CYP1B1RAB9ANPC1
SCHEMBL366183 0.70 MEN1 (0.40) CYP1A2RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL2535401 0.70 NPC1 (0.60) RAB9ANPC1SMN1; SMN2MEN1KMT2A

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 CYP1A2 2969/4885CYP1A1 3317/4885CYP1B1 3411/4885

“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.