SCHEMBL2282913

SCHEMBL2282913

COc1cc(Nc2nc3ncccc3nc2NS(=O)(=O)c2cccc(C(=O)O)c2)cc(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.61
KMT2A Q03164 4/20 0.61
PIK3CD O00329 5/20 0.59
PIK3CG P48736 7/20 0.55
PIK3CA P42336 3/20 0.55
PIK3CB P42338 2/20 0.55
PIK3C2B O00750 2/20 0.53
PIK3C2G O75747 2/20 0.53
MTOR P42345 1/20 0.50
PRKDC P78527 1/20 0.50
RPTOR Q8N122 1/20 0.50
MLST8 Q9BVC4 1/20 0.50
MAPT P10636 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
SCHEMBL2283412 1.00 MEN1 (0.61) MEN1KMT2APIK3CDPIK3CGPIK3CA
SCHEMBL189130 0.90 MEN1 (0.75) MEN1KMT2APIK3CDPIK3CGPIK3CA
SCHEMBL2300591 0.89 PIK3CD (0.72) MEN1KMT2APIK3CDPIK3CGPIK3CA
SCHEMBL188933 0.88 PIK3C2B (0.69) MEN1KMT2APIK3CDPIK3CGPIK3CA
SCHEMBL188796 0.88 PIK3C2B (0.69) MEN1KMT2APIK3CDPIK3CGPIK3CA
SCHEMBL2279567 0.87 PIK3CD (0.61) MEN1KMT2APIK3CDPIK3CGPIK3C2B
SCHEMBL2283949 0.87 PIK3CD (0.68) MEN1KMT2APIK3CDPIK3CGPIK3CA
SCHEMBL2276250 0.87 PIK3CD (0.68) MEN1KMT2APIK3CDPIK3CGPIK3CA
SCHEMBL2278848 0.85 PIK3CD (0.66) MEN1KMT2APIK3CDPIK3CGPIK3CA
SCHEMBL2283565 0.85 PIK3CD (0.66) MEN1KMT2APIK3CDPIK3CGPIK3CA

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-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use EXELIXIS, INC. (US) 2011-08-25 US claimed
US-20100087440-A1 Phosphatidylinositol 3-Kinase Inhibitors and Methods of Their Use EXELIXIS, INC. 2010-04-08 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 (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-20100087440-A1 Phosphatidylinositol 3-Kinase Inhibitors and Methods of Their Use PIK3CA, PIK3CB, PIK3CG MEN1 3161/4885KMT2A 2013/4885PIK3CD 4/4885
US-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use PIK3CA, PIK3CB, PIK3CG MEN1 3161/4885KMT2A 2013/4885PIK3CD 4/4885

“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.