SCHEMBL189280

SCHEMBL189280

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc(Br)ccc2OC)cc(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.62
PIK3CA P42336 3/20 0.62
PIK3CB P42338 2/20 0.62
PIK3CG P48736 2/20 0.62
ALPL P05186 6/20 0.61
MTOR P42345 1/20 0.54
PRKDC P78527 1/20 0.54
RPTOR Q8N122 1/20 0.54
MLST8 Q9BVC4 1/20 0.54
PKM P14618 1/20 0.53
SMN1; SMN2 Q16637 3/20 0.52
LMNA P02545 2/20 0.52
MAPT P10636 5/20 0.52
TP53 P04637 1/20 0.52
KMT2A Q03164 4/20 0.51
KDM4E B2RXH2 3/20 0.51
MEN1 O00255 3/20 0.51
HTT P42858 2/20 0.51
GAA P10253 1/20 0.51
ALDH1A1 P00352 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
SCHEMBL188722 0.90 PIK3CD (0.66) PIK3CDPIK3CAPIK3CBPIK3CGALPL
SCHEMBL10201443 0.88 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBPIK3CGALPL
SCHEMBL190103 0.88 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CGALPL
SCHEMBL188669 0.85 PIK3CD (0.81) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL189435 0.83 PIK3CD (0.71) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL27757994 0.82 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL2301767 0.81 PIK3CG (0.69) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL189424 0.81 PIK3CD (0.69) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL188368 0.81 PIK3CG (0.74) PIK3CDPIK3CAPIK3CBPIK3CGMTOR
SCHEMBL188833 0.81 PIK3CD (0.67) PIK3CDPIK3CAPIK3CBPIK3CGMTOR

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 48 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-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-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-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-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
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

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 PIK3CD 4/4885PIK3CA 1/4885PIK3CB 2/4885
US-20100075947-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CD 2/4885PIK3CA 1/4885PIK3CB 9/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CD 2/4885PIK3CA 1/4885PIK3CB 9/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CD 2/4885PIK3CA 1/4885PIK3CB 12/4885
US-20140271665-A1 Combinations of Kinase Inhibitors for the Treatment of Cancer ERBB2, EGFR, ERBB3 PIK3CD 298/4885PIK3CA 79/4885PIK3CB 268/4885

“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.