SCHEMBL1786172

SCHEMBL1786172

Cc1nc(NC(=O)n2ccnc2)sc1-c1ccc(S(C)(=O)=O)cc1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 16/20 0.65
PIK3CG P48736 16/20 0.65
PIK3CA P42336 14/20 0.65
PIK3CB P42338 11/20 0.65
XIAP P98170 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PI4KB Q9UBF8 1/20 0.40
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
CLK1 P49759 1/20 0.39
RAB9A P51151 1/20 0.39
AOC3 Q16853 1/20 0.39
PIK3C3 Q8NEB9 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
SCHEMBL1885511 0.87 PIK3CD (0.47) PIK3CDPIK3CGPIK3CAPIK3CBXIAP
SCHEMBL2326527 0.85 PIK3CD (0.65) PIK3CDPIK3CGPIK3CAPIK3CBXIAP
SCHEMBL13525246 0.84 PIK3CD (0.57) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1784761 0.84 PIK3CD (0.68) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1787009 0.84 PIK3CD (0.68) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1784745 0.84 PIK3CD (0.57) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL48709 0.83 PIK3CD (0.51) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1783493 0.82 PIK3CD (0.70) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1784393 0.82 PIK3CD (0.70) PIK3CDPIK3CGPIK3CAPIK3CBPI4KB
SCHEMBL1882046 0.81 PIK3CA (0.43) PIK3CDPIK3CGPIK3CAPIK3CBXIAP

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-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

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-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 12/4885PIK3CG 6/4885PIK3CA 1/4885
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 10/4885PIK3CG 6/4885PIK3CA 1/4885

“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.