SCHEMBL13416355

SCHEMBL13416355

COc1cc(O)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)c3ccc(N(C)C)cc3)c2)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.57
PIK3CD O00329 5/20 0.57
PIK3CA P42336 3/20 0.57
PIK3CB P42338 3/20 0.57
PRKDC P78527 2/20 0.57
MTOR P42345 1/20 0.57
RPTOR Q8N122 1/20 0.57
MLST8 Q9BVC4 1/20 0.57
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
PIK3C3 Q8NEB9 1/20 0.51
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
ROCK2 O75116 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL189256 0.95 PIK3CG (0.62) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL13416270 0.93 PIK3CD (0.60) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL13416233 0.93 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL13416215 0.91 PIK3CG (0.62) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL13416218 0.90 PIK3CG (0.57) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL13416363 0.89 PIK3CG (0.60) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189429 0.88 PIK3CD (0.66) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189385 0.87 PIK3CG (0.67) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL13416159 0.87 PIK3CG (0.57) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188574 0.86 PIK3CG (0.66) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 US disclosed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 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-20100075947-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CG 5/4885PIK3CD 2/4885PIK3CA 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.