SCHEMBL371006

SCHEMBL371006

COc1ccc(Cn2cc(C3=C(C(=O)OC(C)(C)C)SC(N)N3C(=O)OC(C)(C)C)c(-c3cccc(C#N)c3)n2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
KDM1A O60341 1/20 0.34
CLK4 Q9HAZ1 2/20 0.34
DYRK1A Q13627 1/20 0.34
USP2 O75604 5/20 0.33
CYP3A4 P08684 5/20 0.33
ALDH1A1 P00352 4/20 0.33
CYP2C9 P11712 4/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.33
CASP1 P29466 1/20 0.33
HIF1A Q16665 1/20 0.33
AADAT Q8N5Z0 1/20 0.33
TGFBR1 P36897 1/20 0.33
JAK2 O60674 1/20 0.33
JAK1 P23458 1/20 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
SCHEMBL370056 0.68 TGFBR1 (0.45) KMT2ACLK4DYRK1AUSP2CYP3A4
SCHEMBL370431 0.62 CYP1A2 (0.47) KMT2ACLK4DYRK1AGAASMN1; SMN2
SCHEMBL22613715 0.61 FAAH (0.51) CLK4DYRK1AALDH1A1KDM4EGAA
SCHEMBL22613701 0.61 SLC16A3 (0.48) KMT2ACLK4DYRK1AUSP2CYP3A4
SCHEMBL20600028 0.60 MAPT (0.69) ALDH1A1TSHRSMN1; SMN2LMNAPTGDR
SCHEMBL22613692 0.59 SLC16A3 (0.47) KMT2ACLK4DYRK1AUSP2CYP3A4
SCHEMBL22613713 0.59 PTGDR (0.48) KMT2ACLK4DYRK1AUSP2CYP3A4
SCHEMBL1847579 0.59 BRAF (0.49) KMT2ASMN1; SMN2LMNAMEN1
SCHEMBL371005 0.58 CDC7 (0.41) KDM1AUSP2CYP3A4ALDH1A1CYP2C9
SCHEMBL1846559 0.58 MAPK8 (0.44) KMT2AKDM1ACLK4DYRK1ACYP3A4

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 KMT2A 1336/4885KDM1A 2344/4885CLK4 3478/4885

“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.