SCHEMBL2283556

SCHEMBL2283556

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.59
PIK3CG P48736 6/20 0.59
PIK3CA P42336 4/20 0.59
PIK3CB P42338 3/20 0.59
MAPT P10636 8/20 0.54
MEN1 O00255 5/20 0.54
KMT2A Q03164 5/20 0.54
KDM4E B2RXH2 5/20 0.51
PRKDC P78527 2/20 0.51
MTOR P42345 1/20 0.51
RPTOR Q8N122 1/20 0.51
MLST8 Q9BVC4 1/20 0.51
PIK3C3 Q8NEB9 1/20 0.49
POLB P06746 2/20 0.49
GFER P55789 1/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
TNF P01375 1/20 0.49
HTT P42858 1/20 0.49

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
SCHEMBL189464 0.89 PIK3CD (0.60) PIK3CDPIK3CGPIK3CAPIK3CBMAPT
SCHEMBL189384 0.88 PIK3CD (0.62) PIK3CDPIK3CGPIK3CAPIK3CBMAPT
SCHEMBL188605 0.86 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBMAPT
SCHEMBL188877 0.86 PIK3CG (0.62) PIK3CDPIK3CGPIK3CAPIK3CBMAPT
SCHEMBL188950 0.86 MAPT (0.68) PIK3CDPIK3CGPIK3CAPIK3CBMAPT
SCHEMBL188258 0.86 ATM (0.65) PIK3CDPIK3CGPIK3CAPIK3CBMAPT
SCHEMBL2279146 0.86 MEN1 (0.58) PIK3CDPIK3CGPIK3CAPIK3CBMAPT
SCHEMBL185041 0.85 PIK3CD (0.57) PIK3CDPIK3CGPIK3CAPIK3CBMAPT
SCHEMBL188372 0.85 PIK3CD (0.55) PIK3CDPIK3CGPIK3CAPIK3CBMAPT
SCHEMBL189099 0.85 PIK3CD (0.56) PIK3CDPIK3CGPIK3CAPIK3CBMAPT

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-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use EXELIXIS, INC. (US) 2011-08-25 US claimed
EP-2364974-A1 N-(3-Phenylamino-quinoxalin-2-yl)-benzenesulfonamide derivatives as phosphatidylinositol 3-kinase inhibitors Exelixis, Inc. (US) 2011-09-14 EP 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-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use PIK3CA, PIK3CB, PIK3CG PIK3CD 4/4885PIK3CG 3/4885PIK3CA 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.