SCHEMBL1787945

SCHEMBL1787945

Cc1nc(NC(=O)NCCc2cn(CC(C)CO)cn2)sc1-c1ccc(S(C)(=O)=O)c(F)c1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 18/20 0.60
PIK3CA P42336 14/20 0.60
PIK3CD O00329 11/20 0.60
PIK3CB P42338 9/20 0.60
PI4KB Q9UBF8 3/20 0.60
CLK1 P49759 1/20 0.60
CLK2 P49760 1/20 0.60
PRKDC P78527 2/20 0.47
CYP2C9 P11712 1/20 0.47
KCNH2 Q12809 1/20 0.47
JAK2 O60674 1/20 0.39
NTRK1 P04629 1/20 0.39

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
SCHEMBL1787942 1.00 PIK3CG (0.60) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1787048 0.93 PIK3CG (0.62) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1786677 0.90 PIK3CG (0.70) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1789221 0.90 PIK3CG (0.65) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1784566 0.89 PIK3CG (0.60) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1785414 0.88 PIK3CG (0.61) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL2260708 0.88 PIK3CG (0.63) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1787858 0.88 PIK3CG (0.65) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1783963 0.87 PIK3CG (0.64) PIK3CGPIK3CAPIK3CDPIK3CBPI4KB
SCHEMBL1784707 0.87 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 3 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
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

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.