SCHEMBL189368

SCHEMBL189368

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccc(NC(=O)CCN3CCCCC3)c2)cc(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 4/20 0.55
PIK3CG P48736 9/20 0.54
PIK3CD O00329 5/20 0.54
PIK3CA P42336 3/20 0.54
PIK3CB P42338 3/20 0.54
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
KDM4E B2RXH2 2/20 0.51
ALDH1A1 P00352 2/20 0.51
LMNA P02545 2/20 0.51
GAA P10253 2/20 0.51
MAPT P10636 2/20 0.51
HTT P42858 2/20 0.51
NPSR1 Q6W5P4 2/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
RECQL P46063 1/20 0.51
PRKDC P78527 2/20 0.51
MTOR P42345 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
SCHEMBL189852 0.92 PIK3CG (0.55) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL188854 0.91 PIK3CG (0.56) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL188918 0.87 PIK3CG (0.58) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL188645 0.87 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL4341568 0.87 PIK3CG (0.54) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL189182 0.86 PIK3CG (0.61) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL28947767 0.86 PIK3CD (0.60) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL189781 0.86 PIK3CD (0.60) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL189757 0.85 PIK3CG (0.60) PIK3CGPIK3CDPIK3CAPIK3CBMEN1
SCHEMBL188458 0.85 PIK3CG (0.50) PIK3CGPIK3CDPIK3CAPIK3CBMEN1

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 44 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
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 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-8889664-B2 Phosphatidylinositol 3-kinase inhibitors and methods of their use EXELIXIS, INC. (US) 2014-11-18 US disclosed
US-8889664-B2 Phosphatidylinositol 3-kinase inhibitors and methods of their use EXELIXIS, INC. (US) 2014-11-18 US disclosed
US-20140271665-A1 Combinations of Kinase Inhibitors for the Treatment of Cancer EXELIXIS, INC. (US) 2014-09-18 US disclosed
US-20140271665-A1 Combinations of Kinase Inhibitors for the Treatment of Cancer EXELIXIS, INC. (US) 2014-09-18 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
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 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-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-20100075947-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 TERT 1221/4885PIK3CG 5/4885PIK3CD 2/4885
US-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use PIK3CA, PIK3CB, PIK3CG TERT 2012/4885PIK3CG 3/4885PIK3CD 4/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 TERT 1221/4885PIK3CG 5/4885PIK3CD 2/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 TERT 1233/4885PIK3CG 6/4885PIK3CD 2/4885
US-20140271665-A1 Combinations of Kinase Inhibitors for the Treatment of Cancer ERBB2, EGFR, ERBB3 TERT 2626/4885PIK3CG 328/4885PIK3CD 298/4885

“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.