SCHEMBL190017

SCHEMBL190017

Cc1ccncc1Nc1nc2ccccc2nc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.62
MAPT P10636 4/20 0.62
MEN1 O00255 3/20 0.62
L3MBTL1 Q9Y468 2/20 0.62
SMN1; SMN2 Q16637 2/20 0.55
LMNA P02545 2/20 0.55
POLB P06746 2/20 0.55
HTT P42858 1/20 0.55
MCL1 Q07820 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
SAE1 Q9UBE0 1/20 0.55
UBA2 Q9UBT2 1/20 0.55
ALDH1A1 P00352 2/20 0.53
MAPK1 P28482 1/20 0.52
NFKBIA P25963 1/20 0.48
RELA Q04206 1/20 0.48
KDM4E B2RXH2 1/20 0.48
PIK3CD O00329 1/20 0.48
DDX3X O00571 1/20 0.47
EDNRA P25101 1/20 0.45

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
SCHEMBL1791434 0.85 MEN1 (0.66) KMT2AMAPTMEN1L3MBTL1SMN1; SMN2
SCHEMBL189234 0.84 KMT2A (0.79) KMT2AMAPTMEN1L3MBTL1SMN1; SMN2
SCHEMBL13452283 0.83 PIK3CD (0.50) KMT2AMAPTMEN1SMN1; SMN2LMNA
SCHEMBL189025 0.83 KMT2A (0.71) KMT2AMAPTMEN1L3MBTL1SMN1; SMN2
SCHEMBL189250 0.83 MAPT (0.60) KMT2AMAPTMEN1L3MBTL1SMN1; SMN2
SCHEMBL188599 0.82 MEN1 (0.66) KMT2AMAPTMEN1L3MBTL1SMN1; SMN2
SCHEMBL1791714 0.81 MEN1 (0.74) KMT2AMAPTMEN1L3MBTL1SMN1; SMN2
SCHEMBL1789378 0.81 MEN1 (0.68) KMT2AMAPTMEN1L3MBTL1SMN1; SMN2
SCHEMBL1793815 0.81 MEN1 (0.68) KMT2AMAPTMEN1L3MBTL1SMN1; SMN2
SCHEMBL1793880 0.81 MEN1 (0.68) KMT2AMAPTMEN1L3MBTL1SMN1; SMN2

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 17 patents. 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
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
US-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 US disclosed
EP-2056829-B9 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-09-26 EP disclosed
EP-2056829-B1 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-01-04 EP 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-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 (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 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

“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.