SCHEMBL1783859

SCHEMBL1783859

Cc1nc(NC(=O)NCCCN2CCCC2=O)sc1-c1ccc(S(C)(=O)=O)c(C(F)(F)F)c1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 10/20 0.59
PIK3CA P42336 10/20 0.59
PIK3CG P48736 10/20 0.59
PIK3CB P42338 8/20 0.59
CLK1 P49759 1/20 0.48
CLK2 P49760 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
KMT2A Q03164 5/20 0.47
RAB9A P51151 2/20 0.46
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL1785354 0.90 PIK3CD (0.61) PIK3CDPIK3CAPIK3CGPIK3CBCLK1
SCHEMBL1785085 0.83 PIK3CD (0.68) PIK3CDPIK3CAPIK3CGPIK3CBCLK1
SCHEMBL1784880 0.83 PIK3CD (0.70) PIK3CDPIK3CAPIK3CGPIK3CBCLK1
SCHEMBL1786467 0.83 PIK3CD (0.76) PIK3CDPIK3CAPIK3CGPIK3CBCLK1
SCHEMBL1786468 0.82 PIK3CD (0.74) PIK3CDPIK3CAPIK3CGPIK3CBCLK1
SCHEMBL1785429 0.82 PIK3CD (0.68) PIK3CDPIK3CAPIK3CGPIK3CBCLK1
SCHEMBL1785277 0.81 PIK3CD (0.62) PIK3CDPIK3CAPIK3CGPIK3CBCLK1
SCHEMBL1787285 0.81 PIK3CD (0.62) PIK3CDPIK3CAPIK3CGPIK3CBCLK1
SCHEMBL1786773 0.81 PIK3CD (0.69) PIK3CDPIK3CAPIK3CGPIK3CBCLK1
SCHEMBL1785416 0.80 PIK3CG (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 6 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-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-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-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
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

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 PIK3CD 12/4885PIK3CA 1/4885PIK3CG 6/4885
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 PIK3CD 10/4885PIK3CA 1/4885PIK3CG 6/4885
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 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.