SCHEMBL188524

SCHEMBL188524

CNCC(=O)Nc1cc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2cc(OC)ccc2Cl)ccc1Cl

nearest known ligand 0.63

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 17/20 0.63
PIK3CD O00329 2/20 0.63
PIK3CA P42336 1/20 0.63
PIK3CB P42338 1/20 0.63
PRKDC P78527 1/20 0.63
PIK3C3 Q8NEB9 1/20 0.63
MAPT P10636 2/20 0.52

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
SCHEMBL189691 0.91 PIK3CG (0.74) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL16091794 0.86 PIK3CG (0.48) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189242 0.85 PIK3CG (0.62) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL188752 0.84 PIK3CG (0.59) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189643 0.84 PIK3CG (0.64) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL27963115 0.84 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189045 0.83 PIK3CG (0.72) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL27963100 0.82 PIK3CG (0.65) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL189537 0.82 PIK3CG (0.68) PIK3CGPIK3CDPIK3CAPIK3CBPRKDC
SCHEMBL22225679 0.81 MAPT (0.76) 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 49 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
EP-2364974-A1 N-(3-Phenylamino-quinoxalin-2-yl)-benzenesulfonamide derivatives as phosphatidylinositol 3-kinase inhibitors Exelixis, Inc. (US) 2011-09-14 EP claimed
US-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use EXELIXIS, INC. (US) 2011-08-25 US claimed
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC (US) 2011-05-26 US claimed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 US claimed
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP claimed
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 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-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-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
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 (8 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 PIK3CG 3/4885PIK3CD 4/4885PIK3CA 1/4885
US-20100075947-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CG 5/4885PIK3CD 2/4885PIK3CA 1/4885
US-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use PIK3CA, PIK3CB, PIK3CG PIK3CG 3/4885PIK3CD 4/4885PIK3CA 1/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CG 5/4885PIK3CD 2/4885PIK3CA 1/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CG 6/4885PIK3CD 2/4885PIK3CA 1/4885
US-10328069-B2 Phosphatidylinositol 3-kinase inhibitors for the treatment of lymphoproliferative malignancies PIK3C2A, PIK3CA, PIK3C3 PIK3CG 15/4885PIK3CD 14/4885PIK3CA 2/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K PIK3CG 370/4885PIK3CD 339/4885PIK3CA 145/4885
US-20170296529-A1 Phosphatidylinositol 3-Kinase Inhibitors for the Treatment of Lymphoproliferative Malignancies PIK3C2A, PIK3CA, PIK3C3 PIK3CG 15/4885PIK3CD 14/4885PIK3CA 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.