SCHEMBL188940

SCHEMBL188940

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc(OC)c1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.84
MEN1 O00255 6/20 0.76
KMT2A Q03164 6/20 0.76
KDM4E B2RXH2 5/20 0.76
GAA P10253 5/20 0.76
POLB P06746 2/20 0.76
HPGD P15428 2/20 0.76
LMNA P02545 2/20 0.76
SMN1; SMN2 Q16637 2/20 0.76
GLA P06280 1/20 0.76
MAPK1 P28482 1/20 0.76
PIK3CD O00329 3/20 0.75
PIK3CA P42336 2/20 0.75
PIK3CB P42338 2/20 0.75
PIK3CG P48736 2/20 0.75
GFER P55789 1/20 0.72
TTR P02766 1/20 0.72
MTOR P42345 1/20 0.71
PRKDC P78527 1/20 0.71
RPTOR Q8N122 1/20 0.71

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
SCHEMBL3142833 0.92 MAPT (0.81) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL1793447 0.92 MAPT (1.00) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL188950 0.90 MAPT (0.68) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL2300729 0.88 PIK3CD (0.77) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL188977 0.88 PIK3CG (0.87) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL15199240 0.87 PIK3CD (0.68) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL188557 0.87 PIK3CD (0.84) MAPTMEN1KMT2AKDM4EPOLB
SCHEMBL12364144 0.86 PIK3CG (0.72) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL2301790 0.86 PIK3CD (0.77) MAPTMEN1KMT2AKDM4EGAA
SCHEMBL2303554 0.86 PIK3CD (0.77) MAPTMEN1KMT2AKDM4EGAA

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 43 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
EP-2056829-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER Exelixis, Inc. (US) 2009-05-13 EP claimed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 WO 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-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
EP-2139483-B9 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2014-05-21 EP disclosed
EP-2139483-B9 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2014-05-21 EP 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
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-20100087440-A1 Phosphatidylinositol 3-Kinase Inhibitors and Methods of Their Use PIK3CA, PIK3CB, PIK3CG MAPT 3587/4885MEN1 3161/4885KMT2A 2013/4885
US-20100075947-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4580/4885MEN1 1310/4885KMT2A 1063/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4580/4885MEN1 1310/4885KMT2A 1063/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4606/4885MEN1 1096/4885KMT2A 1033/4885
US-20140271665-A1 Combinations of Kinase Inhibitors for the Treatment of Cancer ERBB2, EGFR, ERBB3 MAPT 1653/4885MEN1 2255/4885KMT2A 830/4885

“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.