SCHEMBL188653

SCHEMBL188653

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2cccs2)cc(OC)c1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 9/20 0.84
MEN1 O00255 8/20 0.84
KDM4E B2RXH2 8/20 0.84
MAPT P10636 5/20 0.84
ALDH1A1 P00352 4/20 0.84
HTT P42858 3/20 0.84
SMN1; SMN2 Q16637 3/20 0.84
NOD2 Q9HC29 2/20 0.84
LMNA P02545 2/20 0.84
TNF P01375 1/20 0.84
NOD1 Q9Y239 1/20 0.84
PIK3CD O00329 3/20 0.66
PIK3CA P42336 3/20 0.66
PIK3CB P42338 2/20 0.66
PIK3CG P48736 2/20 0.66
TP53 P04637 1/20 0.66
HSD17B10 Q99714 3/20 0.60
MAPK1 P28482 2/20 0.60
USP2 O75604 2/20 0.60
POLB P06746 1/20 0.60

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
SCHEMBL2307271 0.83 KMT2A (0.85) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL2301784 0.83 LMNA (0.65) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL188557 0.82 PIK3CD (0.84) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL190106 0.82 PIK3CG (0.62) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL27823121 0.82 PIK3CG (0.62) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL27823080 0.82 PIK3CG (0.62) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL188977 0.81 PIK3CG (0.87) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL2303179 0.81 PIK3CG (0.71) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL2305680 0.81 PIK3CG (0.70) KMT2AMEN1KDM4EMAPTALDH1A1
SCHEMBL2300765 0.80 PIK3CG (0.60) KMT2AMEN1KDM4EMAPTALDH1A1

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 50 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-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
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 (4 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 KMT2A 1063/4885MEN1 1310/4885KDM4E 761/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 KMT2A 1063/4885MEN1 1310/4885KDM4E 761/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 KMT2A 1033/4885MEN1 1096/4885KDM4E 729/4885
US-20140271665-A1 Combinations of Kinase Inhibitors for the Treatment of Cancer ERBB2, EGFR, ERBB3 KMT2A 830/4885MEN1 2255/4885KDM4E 2146/4885

“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.