SCHEMBL189234

SCHEMBL189234

O=[N+]([O-])c1cccc(S(=O)(=O)Nc2nc3ccccc3nc2Nc2ccncc2)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.79
MAPT P10636 4/20 0.79
MEN1 O00255 3/20 0.79
L3MBTL1 Q9Y468 2/20 0.79
ALDH1A1 P00352 1/20 0.69
SMN1; SMN2 Q16637 2/20 0.67
MAPK1 P28482 1/20 0.67
LMNA P02545 2/20 0.66
POLB P06746 2/20 0.66
HTT P42858 1/20 0.66
MCL1 Q07820 1/20 0.66
NPSR1 Q6W5P4 1/20 0.66
SAE1 Q9UBE0 1/20 0.66
UBA2 Q9UBT2 1/20 0.66
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
ABCG2 Q9UNQ0 1/20 0.49
CDC25A P30304 1/20 0.49
CDC25B P30305 1/20 0.49
PGR P06401 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
SCHEMBL1793021 0.92 MEN1 (0.84) KMT2AMAPTMEN1L3MBTL1ALDH1A1
SCHEMBL1792083 0.90 MEN1 (0.84) KMT2AMAPTMEN1L3MBTL1ALDH1A1
SCHEMBL189025 0.89 KMT2A (0.71) KMT2AMAPTMEN1L3MBTL1ALDH1A1
SCHEMBL1789025 0.88 KMT2A (0.81) KMT2AMAPTMEN1L3MBTL1ALDH1A1
SCHEMBL1793548 0.88 MEN1 (0.81) KMT2AMAPTMEN1L3MBTL1ALDH1A1
SCHEMBL1788523 0.88 MAPT (1.00) KMT2AMAPTMEN1L3MBTL1ALDH1A1
SCHEMBL189549 0.87 KMT2A (0.69) KMT2AMAPTMEN1L3MBTL1ALDH1A1
SCHEMBL188750 0.86 MEN1 (0.74) KMT2AMAPTMEN1L3MBTL1ALDH1A1
SCHEMBL1789739 0.86 MEN1 (0.77) KMT2AMAPTMEN1L3MBTL1ALDH1A1
SCHEMBL189332 0.86 MAPT (0.74) KMT2AMAPTMEN1L3MBTL1ALDH1A1

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 25 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-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 WO claimed
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-20140100215-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2014-04-10 US disclosed
US-8642584-B2 Method of using PI3K and MEK modulators EXELIXIS, INC. (US) 2014-02-04 US disclosed
US-8642584-B2 Method of using PI3K and MEK modulators EXELIXIS, INC. (US) 2014-02-04 US disclosed
EP-2139483-B1 COMBINATION THERAPIES COMPRISING A QUINOXALINE INHIBITOR OF PI3K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS INC (US) 2013-09-18 EP disclosed
US-8481001-B2 Combination therapies comprising quinoxaline inhibitors of P13K-alpha for use in the treatment of cancer EXELIXIS, INC. (US) 2013-07-09 US disclosed
EP-2056829-B1 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-01-04 EP disclosed
EP-2364974-A1 N-(3-Phenylamino-quinoxalin-2-yl)-benzenesulfonamide derivatives as phosphatidylinositol 3-kinase inhibitors Exelixis, Inc. (US) 2011-09-14 EP disclosed
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER EXELIXIS, INC (US) 2011-05-26 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
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 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 1063/4885MAPT 4580/4885MEN1 1310/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 KMT2A 1063/4885MAPT 4580/4885MEN1 1310/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 KMT2A 1033/4885MAPT 4606/4885MEN1 1096/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K KMT2A 1079/4885MAPT 4242/4885MEN1 1197/4885

“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.