SCHEMBL4201345

SCHEMBL4201345

Cc1nc(C(N)=O)sc1-c1ccc(S(C)(=O)=O)c(C#N)c1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 12/20 0.67
PIK3CA P42336 12/20 0.67
PIK3CG P48736 12/20 0.67
PIK3CB P42338 10/20 0.67
XDH P47989 2/20 0.41
DGAT1 O75907 1/20 0.35
GPR52 Q9Y2T5 1/20 0.35
NR1H2 P55055 1/20 0.35
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
F11 P03951 1/20 0.34

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
SCHEMBL1787404 0.83 PIK3CD (0.65) PIK3CDPIK3CAPIK3CGPIK3CBXDH
SCHEMBL2074226 0.82 PIK3CD (0.65) PIK3CDPIK3CAPIK3CGPIK3CBGPR52
SCHEMBL4033143 0.82 PIK3CD (0.65) PIK3CDPIK3CAPIK3CGPIK3CBGPR52
SCHEMBL3143365 0.80 PIK3CD (0.53) PIK3CDPIK3CAPIK3CGPIK3CBGPR52
SCHEMBL48745 0.80 PIK3CG (1.00) PIK3CDPIK3CAPIK3CGPIK3CBPI4KB
SCHEMBL4038493 0.80 PIK3CD (0.67) PIK3CDPIK3CAPIK3CGPIK3CBGPR52
SCHEMBL27894029 0.75 XDH (0.62) XDH
SCHEMBL3141883 0.75 PIK3CD (0.41) PIK3CDPIK3CAPIK3CGPIK3CBCLK1
SCHEMBL6550367 0.75 PIK3CD (0.41) PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL1787019 0.72 PIK3CD (0.70) PIK3CDPIK3CAPIK3CGPIK3CBCLK1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689391-B1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY AIRWAY DISEASES NOVARTIS AG (CH) 2009-04-22 EP disclosed
US-20080280871-A1 5-Phenyl-4-Methyl-Thiazol-2-Yl-Amine Derivatives as Inhibitors of Phosphatidylin Ositol 3 Kinase Enzymes (PI13) For Treatment of Inflammatory Diseases NOVARTIS AG (CH) 2008-11-13 US disclosed
EP-1689391-A2 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY AIRWAY DISEASES Novartis AG (CH) 2006-08-16 EP disclosed
WO-2005021519-A2 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY AIRWAY DISEASES NOVARTIS AG (CH) 2005-03-10 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-20080280871-A1 5-Phenyl-4-Methyl-Thiazol-2-Yl-Amine Derivatives as Inhibitors of Phosphatidylin Ositol 3 Kinase Enzymes (PI13) For Treatment of Inflammatory Diseases PI4KA, IP6K3, PHOSPHO1 PIK3CD 26/4885PIK3CA 16/4885PIK3CG 23/4885

“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.