SCHEMBL1784537

SCHEMBL1784537

CCn1cnc(CCNC(=O)Nc2nc(C)c(-c3ccc(S(C)(=O)=O)c(C(F)(F)F)c3)s2)c1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 19/20 0.61
PIK3CA P42336 16/20 0.61
PIK3CD O00329 12/20 0.61
PIK3CB P42338 10/20 0.61
PI4KB Q9UBF8 3/20 0.57
CLK1 P49759 1/20 0.57
CLK2 P49760 1/20 0.57
CYP2C9 P11712 1/20 0.44
PRKDC P78527 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL1786677 0.90 PIK3CG (0.70) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1786948 0.88 PIK3CG (0.59) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1784303 0.86 PIK3CG (0.61) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1787858 0.85 PIK3CG (0.65) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL2256844 0.84 PIK3CG (0.60) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1786224 0.84 PIK3CD (0.69) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1785478 0.84 PIK3CG (0.52) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1786468 0.83 PIK3CD (0.74) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1784707 0.83 PIK3CG (0.63) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL2260708 0.83 PIK3CG (0.63) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124624-A1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY DISEASES NOVARTIS AG (CH) 2011-05-26 US disclosed
US-20110124693-A1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY DISEASES NOVARTIS AG (CH) 2011-05-26 US disclosed
US-7902375-B2 Antiallergens; antiarthritic agents; psoriasis; inflammatory bowel disorders; Crohn's disease; sepsis ; antiproliferative agents; anticancer agents; transplant rejection; stroke; antidiabetic agents; restenosis NOVARTIS AG (CH) 2011-03-08 US disclosed
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
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 (3 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-20110124693-A1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY DISEASES PIK3CA, JAK2, JAK1 PIK3CG 6/4885PIK3CA 1/4885PIK3CD 12/4885
US-20110124624-A1 5-PHENYL-4-METHYL-THIAZOL-2-YL-AMINE DERIVATIVES AS INHIBITORS OF PHOSPHATIDYLINOSITOL 3 KINASE ENZYMES (PI3) FOR THE TREATMENT OF INFLAMMATORY DISEASES PIK3CA, JAK2, JAK3 PIK3CG 6/4885PIK3CA 1/4885PIK3CD 10/4885
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 PIK3CG 23/4885PIK3CA 16/4885PIK3CD 26/4885

“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.