SCHEMBL370056

SCHEMBL370056

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.45
LTA4H P09960 2/20 0.43
PTGDR Q13258 1/20 0.42
DYRK1A Q13627 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CYP1A1 P04798 2/20 0.40
CYP1B1 Q16678 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP19A1 P11511 1/20 0.39
MAPK14 Q16539 1/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL370431 0.85 CYP1A2 (0.47) TGFBR1PTGDRDYRK1ACLK4MAPT
SCHEMBL369496 0.75 LTA4H (0.52) LTA4HMAPTALDH1A1NPC1POLB
SCHEMBL370629 0.72 LTA4H (0.50) LTA4HMAPTALDH1A1NPC1POLB
SCHEMBL30552612 0.70 ALDH1A1 (0.59) DYRK1ACLK4MAPTALDH1A1NPC1
SCHEMBL7371077 0.70 ALDH1A1 (0.59) DYRK1ACLK4MAPTALDH1A1NPC1
SCHEMBL14433625 0.69 BACE1 (0.66) LTA4HPTGDRDYRK1ACLK4MAPT
SCHEMBL370452 0.69 LTA4H (0.61) LTA4HMAPTALDH1A1NPC1POLB
Bromide SCHEMBL29056835 0.69 ALDH1A1 (0.60) DYRK1ACLK4MAPTALDH1A1NPC1
Bromide SCHEMBL30552479 0.69 ALDH1A1 (0.60) DYRK1ACLK4MAPTALDH1A1NPC1
SCHEMBL371006 0.68 KMT2A (0.37) TGFBR1PTGDRDYRK1ACLK4ALDH1A1

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 TGFBR1 942/4885LTA4H 1303/4885PTGDR 255/4885

“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.