SCHEMBL190106

SCHEMBL190106

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cc(Cl)c(Cl)s2)cc(OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 5/20 0.62
PIK3CD O00329 4/20 0.62
PIK3CA P42336 3/20 0.62
PIK3CB P42338 2/20 0.62
MAPT P10636 9/20 0.58
KMT2A Q03164 5/20 0.58
MEN1 O00255 4/20 0.58
KDM4E B2RXH2 2/20 0.58
HTT P42858 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
ALDH1A1 P00352 2/20 0.58
TNF P01375 1/20 0.58
LMNA P02545 1/20 0.58
NOD2 Q9HC29 1/20 0.58
NOD1 Q9Y239 1/20 0.58
MTOR P42345 1/20 0.49
PRKDC P78527 1/20 0.49
RPTOR Q8N122 1/20 0.49
MLST8 Q9BVC4 1/20 0.49
TP53 P04637 1/20 0.49

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
SCHEMBL2305650 0.84 PIK3CD (0.62) PIK3CGPIK3CDPIK3CAPIK3CBMAPT
SCHEMBL189347 0.83 PIK3CG (0.62) PIK3CGPIK3CDPIK3CAPIK3CBMAPT
SCHEMBL188833 0.83 PIK3CD (0.67) PIK3CGPIK3CDPIK3CAPIK3CBMAPT
SCHEMBL2301784 0.82 LMNA (0.65) PIK3CGPIK3CDPIK3CAPIK3CBMAPT
SCHEMBL188653 0.82 KMT2A (0.84) PIK3CGPIK3CDPIK3CAPIK3CBMAPT
SCHEMBL189335 0.81 PIK3CD (0.76) PIK3CGPIK3CDPIK3CAPIK3CBMAPT
SCHEMBL27823080 0.81 PIK3CG (0.62) PIK3CGPIK3CDPIK3CAPIK3CBMAPT
SCHEMBL27823121 0.81 PIK3CG (0.62) PIK3CGPIK3CDPIK3CAPIK3CBMAPT
SCHEMBL189609 0.81 PIK3CD (0.81) PIK3CGPIK3CDPIK3CAPIK3CBMAPT
SCHEMBL188557 0.80 PIK3CD (0.84) PIK3CGPIK3CDPIK3CAPIK3CBMAPT

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 53 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
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
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-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-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-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 PIK3CG 5/4885PIK3CD 2/4885PIK3CA 1/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CG 5/4885PIK3CD 2/4885PIK3CA 1/4885
US-20140271665-A1 Combinations of Kinase Inhibitors for the Treatment of Cancer ERBB2, EGFR, ERBB3 PIK3CG 328/4885PIK3CD 298/4885PIK3CA 79/4885

“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.