SCHEMBL1882046

SCHEMBL1882046

Cc1cc(-c2sc(NC(=O)n3ccnc3)nc2C)cc(C)n1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 16/20 0.43
PIK3CD O00329 15/20 0.43
PIK3CG P48736 14/20 0.43
PIK3CB P42338 13/20 0.43
XIAP P98170 1/20 0.41
PIK3R1 P27986 1/20 0.40
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
CLK1 P49759 1/20 0.38
PI4KB Q9UBF8 1/20 0.37
MEN1 O00255 1/20 0.36
CASP3 P42574 1/20 0.36
KMT2A Q03164 1/20 0.36
SENP8 Q96LD8 1/20 0.36
SENP7 Q9BQF6 1/20 0.36
SENP6 Q9GZR1 1/20 0.36

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
SCHEMBL29089052 0.88 PIK3CG (0.39) PIK3CAPIK3CDPIK3CGPIK3CBXIAP
SCHEMBL1885511 0.87 PIK3CD (0.47) PIK3CAPIK3CDPIK3CGPIK3CBXIAP
SCHEMBL1884261 0.85 PIK3CG (0.38) PIK3CAPIK3CDPIK3CGPIK3CBALDH1A1
SCHEMBL24023404 0.85 PIK3CG (0.39) PIK3CAPIK3CDPIK3CGPIK3CBXIAP
SCHEMBL12991700 0.83 PIK3CG (0.51) PIK3CAPIK3CDPIK3CGPIK3CBXIAP
SCHEMBL2326527 0.83 PIK3CD (0.65) PIK3CAPIK3CDPIK3CGPIK3CBXIAP
SCHEMBL1889405 0.82 PIK3CA (0.50) PIK3CAPIK3CDPIK3CGPIK3CBXIAP
SCHEMBL24023390 0.82 XIAP (0.40) PIK3CAPIK3CDPIK3CGPIK3CBXIAP
SCHEMBL1938692 0.82 PIK3CA (0.45) PIK3CAPIK3CDPIK3CGPIK3CB
SCHEMBL1890226 0.82 PIK3CA (0.43) PIK3CAPIK3CDPIK3CGPIK3CBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE NOVARTIS AG 2011-05-05 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 (1 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-20110105535-A1 INHIBITORS OF PHOSPHATIDYLINOSITOL 3-KINASE PIK3CA, PIK3CD, PIP4K2C PIK3CA 1/4885PIK3CD 2/4885PIK3CG 8/4885

“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.