SCHEMBL190168

SCHEMBL190168

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)COc3ccccc3)c2)cc(OC)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.61
PIK3CG P48736 6/20 0.59
PIK3CD O00329 5/20 0.59
PIK3CA P42336 4/20 0.59
PIK3CB P42338 3/20 0.59
NPC1 O15118 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
PRKDC P78527 2/20 0.53
MTOR P42345 1/20 0.53
RPTOR Q8N122 1/20 0.53
MLST8 Q9BVC4 1/20 0.53
PIK3C3 Q8NEB9 1/20 0.53
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
SGMS1 Q86VZ5 1/20 0.52
HPGD P15428 1/20 0.52
TNF P01375 1/20 0.51
LMNA P02545 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL13416473 0.96 MAPT (0.58) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL189129 0.94 PIK3CG (0.66) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL189324 0.93 PIK3CG (0.55) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL189773 0.92 PIK3CG (0.62) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL189751 0.91 PIK3CG (0.59) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL189184 0.90 PIK3CG (0.62) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL188965 0.90 PIK3CG (0.60) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL13416514 0.89 PIK3CG (0.53) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL189062 0.89 PIK3CG (0.63) MAPTPIK3CGPIK3CDPIK3CAPIK3CB
SCHEMBL188997 0.89 PIK3CG (0.63) MAPTPIK3CGPIK3CDPIK3CAPIK3CB

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 55 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140100215-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2014-04-10 US claimed
US-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 US claimed
EP-2056829-B9 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-09-26 EP claimed
EP-2056829-B1 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-01-04 EP claimed
US-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use EXELIXIS, INC. (US) 2011-08-25 US claimed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 US claimed
EP-2139483-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER Exelixis, Inc. (US) 2010-01-06 EP claimed
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP claimed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO claimed
WO-2008127594-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 WO claimed
EP-1931645-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS Exelixis, Inc. (US) 2008-06-18 EP claimed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO claimed
WO-2007044729-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS EXELIXIS, INC. (US) 2007-04-19 WO claimed
US-9011863-B2 Combinations of kinase inhibitors for the treatment of cancer EXELIXIS, INC. (US) 2015-04-21 US disclosed
US-9011863-B2 Combinations of kinase inhibitors for the treatment of cancer EXELIXIS, INC. (US) 2015-04-21 US disclosed
US-9011863-B2 Combinations of kinase inhibitors for the treatment of cancer EXELIXIS, INC. (US) 2015-04-21 US disclosed
US-20100087440-A1 Phosphatidylinositol 3-Kinase Inhibitors and Methods of Their Use EXELIXIS, INC. 2010-04-08 US disclosed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 US disclosed
WO-2008127594-A2 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC. (US) 2008-10-23 WO disclosed
WO-2007044729-A2 N- (3-AMINO-QUINOXALIN-2-YL) -SULFONAMIDE DERIVATIVES AND THEIR USE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS EXELIXIS, INC. (US) 2007-04-19 WO 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 (5 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 MAPT 3587/4885PIK3CG 3/4885PIK3CD 4/4885
US-20100075947-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4580/4885PIK3CG 5/4885PIK3CD 2/4885
US-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use PIK3CA, PIK3CB, PIK3CG MAPT 3587/4885PIK3CG 3/4885PIK3CD 4/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4580/4885PIK3CG 5/4885PIK3CD 2/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4606/4885PIK3CG 6/4885PIK3CD 2/4885

“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.