SCHEMBL188712

SCHEMBL188712

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(N)c2)cc(OC)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.74
PIK3CG P48736 5/20 0.74
PIK3CA P42336 3/20 0.74
PIK3CB P42338 2/20 0.74
PIK3C2B O00750 1/20 0.72
PIK3C2G O75747 1/20 0.72
CDC25A P30304 1/20 0.59
CDC25B P30305 1/20 0.59
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
MAPT P10636 6/20 0.57
ALDH1A1 P00352 2/20 0.57
MTOR P42345 1/20 0.57
PRKDC P78527 1/20 0.57
RPTOR Q8N122 1/20 0.57
MLST8 Q9BVC4 1/20 0.57
KDM4E B2RXH2 1/20 0.57
TNF P01375 1/20 0.57
LMNA P02545 1/20 0.57
HTT P42858 1/20 0.57

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
SCHEMBL188870 0.96 PIK3CD (0.68) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C2B
SCHEMBL12373069 0.94 PIK3CD (0.66) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C2B
SCHEMBL14546817 0.93 PIK3CG (0.65) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C2B
SCHEMBL189007 0.93 PIK3CG (0.74) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C2B
SCHEMBL2305856 0.92 PIK3CD (0.76) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C2B
SCHEMBL188557 0.91 PIK3CD (0.84) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C2B
SCHEMBL2303217 0.90 PIK3CD (0.72) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C2B
SCHEMBL189192 0.90 PIK3CG (0.72) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C2B
SCHEMBL2301966 0.90 PIK3CD (0.72) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C2B
SCHEMBL6996405 0.90 PIK3CD (0.83) PIK3CDPIK3CGPIK3CAPIK3CBPIK3C2B

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 83 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-20100087440-A1 Phosphatidylinositol 3-Kinase Inhibitors and Methods of Their Use EXELIXIS, INC. 2010-04-08 US claimed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 US claimed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 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-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-10328069-B2 Phosphatidylinositol 3-kinase inhibitors for the treatment of lymphoproliferative malignancies EXELIXIS, INC. (US) 2019-06-25 US disclosed
US-10328069-B2 Phosphatidylinositol 3-kinase inhibitors for the treatment of lymphoproliferative malignancies EXELIXIS, INC. (US) 2019-06-25 US disclosed
EP-2773353-B1 N-(3-{[(3-{[2-CHLORO-5-(METHOXY)PHENYL]AMINO}QUINOXALIN-2-YL)AMINO]SULFONYL}PHENYL)-2-METHYLALANINAMIDE AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITOR FOR THE TREATMENT OF LYMPHOPROLIFERATIVE MALIGNANCIES EXELIXIS INC (US) 2018-09-05 EP disclosed
US-20170296529-A1 Phosphatidylinositol 3-Kinase Inhibitors for the Treatment of Lymphoproliferative Malignancies EXELIXIS, INC. 2017-10-19 US disclosed
US-20170296529-A1 Phosphatidylinositol 3-Kinase Inhibitors for the Treatment of Lymphoproliferative Malignancies EXELIXIS, INC. 2017-10-19 US disclosed
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 disclosed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO disclosed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 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
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 (7 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 PIK3CD 4/4885PIK3CG 3/4885PIK3CA 1/4885
US-20100075947-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CD 2/4885PIK3CG 5/4885PIK3CA 1/4885
US-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use PIK3CA, PIK3CB, PIK3CG PIK3CD 4/4885PIK3CG 3/4885PIK3CA 1/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CD 2/4885PIK3CG 5/4885PIK3CA 1/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CD 2/4885PIK3CG 6/4885PIK3CA 1/4885
US-10328069-B2 Phosphatidylinositol 3-kinase inhibitors for the treatment of lymphoproliferative malignancies PIK3C2A, PIK3CA, PIK3C3 PIK3CD 14/4885PIK3CG 15/4885PIK3CA 2/4885
US-20170296529-A1 Phosphatidylinositol 3-Kinase Inhibitors for the Treatment of Lymphoproliferative Malignancies PIK3C2A, PIK3CA, PIK3C3 PIK3CD 14/4885PIK3CG 15/4885PIK3CA 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.