SCHEMBL1789004

SCHEMBL1789004

O=C(O)c1cccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(N(O)O)cc2)c1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.73
KMT2A Q03164 8/20 0.73
EGFR P00533 1/20 0.58
CTNNB1 P35222 1/20 0.57
MAPT P10636 7/20 0.56
KDM4E B2RXH2 5/20 0.56
CDC25A P30304 1/20 0.55
CDC25B P30305 1/20 0.55
GAA P10253 3/20 0.53
USP2 O75604 1/20 0.53
PKM P14618 1/20 0.53
APAF1 O14727 1/20 0.53
CASP6 P55212 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
MAPK1 P28482 2/20 0.53
POLB P06746 4/20 0.53
LMNA P02545 2/20 0.53
HPGD P15428 2/20 0.53

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
SCHEMBL1791376 0.87 MEN1 (0.82) MEN1KMT2AEGFRCTNNB1MAPT
SCHEMBL12292678 0.87 MEN1 (0.76) MEN1KMT2AEGFRCTNNB1MAPT
SCHEMBL1792399 0.87 MEN1 (0.76) MEN1KMT2AEGFRCTNNB1MAPT
SCHEMBL1789873 0.87 MEN1 (0.76) MEN1KMT2AEGFRCTNNB1MAPT
SCHEMBL14050634 0.85 MEN1 (0.76) MEN1KMT2AEGFRCTNNB1MAPT
SCHEMBL1790112 0.84 SMN1; SMN2 (0.76) MEN1KMT2AEGFRCTNNB1MAPT
SCHEMBL14546808 0.84 MEN1 (0.81) MEN1KMT2AEGFRCTNNB1MAPT
SCHEMBL2263590 0.84 MEN1 (0.72) MEN1KMT2AEGFRCTNNB1MAPT
SCHEMBL14050721 0.83 MEN1 (0.79) MEN1KMT2AEGFRCTNNB1MAPT
SCHEMBL15095990 0.82 MEN1 (1.00) MEN1KMT2AEGFRCTNNB1MAPT

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 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-20140271665-A1 Combinations of Kinase Inhibitors for the Treatment of Cancer EXELIXIS, INC. (US) 2014-09-18 US 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-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
US-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 US disclosed
US-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use EXELIXIS, INC. (US) 2011-08-25 US disclosed
US-7989622-B2 Phosphatidylinositol 3-kinase inhibitors and methods of their use EXELIXIS, INC. (US) 2011-08-02 US 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-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

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

For each of this compound's patents that has machine-readable text (7 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 MEN1 3161/4885KMT2A 2013/4885EGFR 433/4885
US-20100075947-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MEN1 1310/4885KMT2A 1063/4885EGFR 134/4885
US-20110207712-A1 Phosphatidylinositol 3-Kinase Inhibitors And Methods Of Their Use PIK3CA, PIK3CB, PIK3CG MEN1 3161/4885KMT2A 2013/4885EGFR 433/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MEN1 1310/4885KMT2A 1063/4885EGFR 134/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MEN1 1096/4885KMT2A 1033/4885EGFR 137/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K MEN1 1197/4885KMT2A 1079/4885EGFR 2743/4885
US-20140271665-A1 Combinations of Kinase Inhibitors for the Treatment of Cancer ERBB2, EGFR, ERBB3 MEN1 2255/4885KMT2A 830/4885EGFR 2/4885

“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.