SCHEMBL4038493

SCHEMBL4038493

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

nearest known ligand 0.67

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 8/20 0.67
PIK3CA P42336 8/20 0.67
PIK3CG P48736 8/20 0.67
PIK3CB P42338 6/20 0.67
GPR52 Q9Y2T5 8/20 0.46
ABCB11 O95342 1/20 0.40

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
SCHEMBL2074226 0.85 PIK3CD (0.65) PIK3CDPIK3CAPIK3CGPIK3CBGPR52
SCHEMBL48693 0.83 PIK3CD (0.65) PIK3CDPIK3CAPIK3CGPIK3CBGPR52
SCHEMBL4033143 0.82 PIK3CD (0.65) PIK3CDPIK3CAPIK3CGPIK3CBGPR52
SCHEMBL3143365 0.80 PIK3CD (0.53) PIK3CDPIK3CAPIK3CGPIK3CBGPR52
SCHEMBL48634 0.80 PIK3CG (1.00) PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL4201345 0.80 PIK3CD (0.67) PIK3CDPIK3CAPIK3CGPIK3CBGPR52
SCHEMBL27637489 0.75 PIK3CD (0.61) PIK3CDPIK3CAPIK3CGPIK3CBGPR52
SCHEMBL48770 0.75 PIK3CD (0.75) PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL5804528 0.75 PIK3CD (0.68) PIK3CDPIK3CAPIK3CGPIK3CB
SCHEMBL5048901 0.75 GPR52 (0.56) GPR52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
CN-1838953-B Phosphatidylinositol 3-kinase (PI) for the treatment of inflammatory airway diseases3) Inhibitor 5-phenyl-4-methyl-thiazol-2-yl-amine derivatives NOVARTIS AG 2011-02-02 CN disclosed
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
US-20080021019-A1 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; substituted pyrazine compounds SCHERING CORPORATION 2008-01-24 US disclosed
CN-1838953-A Phosphatidylinositol 3-kinase (PI3) inhibitor 5-phenyl-4-methyl-thiazol-2-yl-amine derivatives for the treatment of inflammatory airway diseases NOVARTIS AG (CH) 2006-09-27 CN 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 (2 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
US-20080021019-A1 immunodeficiencies, cancers, cardiovascular diseases, endocrine disorders, Parkinson's disease, metabolic diseases, tumorigenesis, Alzheimer's disease, heart disease, diabetes, neurodegeneration, inflammation, kidney disease, atherosclerosis and airway disease; substituted pyrazine compounds BRCA1, PDK2, PDK1 PIK3CD 197/4885PIK3CA 127/4885PIK3CG 478/4885

“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.