SCHEMBL13416151

SCHEMBL13416151

COc1cc(O)cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)CNC(C)(C)C)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 9/20 0.55
PIK3CD O00329 5/20 0.54
PIK3CA P42336 3/20 0.54
PIK3CB P42338 3/20 0.54
PRKDC P78527 2/20 0.54
PIK3C3 Q8NEB9 1/20 0.54
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
MAPT P10636 5/20 0.50
KDM4E B2RXH2 3/20 0.50
MTOR P42345 1/20 0.49
RPTOR Q8N122 1/20 0.49
MLST8 Q9BVC4 1/20 0.49
ATM Q13315 1/20 0.47
ALDH1A1 P00352 1/20 0.46
TNF P01375 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NOD2 Q9HC29 1/20 0.46

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
SCHEMBL188770 0.96 PIK3CG (0.58) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL13416226 0.92 PIK3CG (0.53) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL13416091 0.92 PIK3CG (0.56) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL13416309 0.91 PIK3CG (0.56) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL13416463 0.90 PIK3CG (0.56) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL13416134 0.90 PIK3CG (0.67) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL13416129 0.89 PIK3CD (0.56) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL13416140 0.89 PIK3CG (0.56) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL13416104 0.89 PIK3CG (0.54) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL13416454 0.88 PIK3CG (0.52) 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.