SCHEMBL1789957

SCHEMBL1789957

O=C1OCc2cc(Nc3nc4ccccc4nc3NS(=O)(=O)c3ccc(Cl)cc3)ccc21

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25A P30304 1/20 0.61
CDC25B P30305 1/20 0.61
MAPT P10636 10/20 0.60
TP53 P04637 1/20 0.60
MEN1 O00255 7/20 0.55
KMT2A Q03164 7/20 0.55
HTT P42858 3/20 0.55
BACE1 P56817 1/20 0.54
NOD2 Q9HC29 1/20 0.54
ALDH1A1 P00352 6/20 0.52
POLB P06746 3/20 0.52
DUSP26 Q9BV47 1/20 0.51
KDM4E B2RXH2 4/20 0.50
PKM P14618 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
LMNA P02545 2/20 0.48
HPGD P15428 2/20 0.48
GLA P06280 1/20 0.48
GAA P10253 1/20 0.48
MAPK1 P28482 1/20 0.48

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
SCHEMBL1790224 0.92 MAPT (0.65) CDC25ACDC25BMAPTTP53MEN1
SCHEMBL1791004 0.90 PIK3CD (0.61) CDC25ACDC25BMAPTTP53MEN1
SCHEMBL15095966 0.84 MEN1 (0.68) MAPTMEN1KMT2AHTTNOD2
SCHEMBL1789044 0.83 MEN1 (0.66) CDC25ACDC25BMAPTMEN1KMT2A
SCHEMBL1789288 0.81 CDC25A (0.75) CDC25ACDC25BMAPTTP53MEN1
SCHEMBL14546815 0.81 MAPT (0.54) CDC25ACDC25BMAPTMEN1KMT2A
SCHEMBL2243923 0.81 MAPT (0.73) CDC25ACDC25BMAPTTP53MEN1
SCHEMBL30355351 0.81 MAPT (0.73) CDC25ACDC25BMAPTTP53MEN1
SCHEMBL1790718 0.80 CDC25A (0.73) CDC25ACDC25BMAPTTP53MEN1
SCHEMBL3135247 0.78 MAPT (0.70) CDC25ACDC25BMAPTTP53MEN1

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 36 patents — showing the first 20. 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-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-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-20140271665-A1 Combinations of Kinase Inhibitors for the Treatment of Cancer EXELIXIS, INC. (US) 2014-09-18 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-20100222257-A1 SUBSTITUTED PHENETHYLAMINES AUSPEX PHARMACEUTICALS, INC. (US) 2010-09-02 US 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-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
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 CDC25A 447/4885CDC25B 560/4885MAPT 3587/4885
US-20100075947-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 CDC25A 193/4885CDC25B 194/4885MAPT 4580/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K CDC25A 262/4885CDC25B 399/4885MAPT 4242/4885
US-20140271665-A1 Combinations of Kinase Inhibitors for the Treatment of Cancer ERBB2, EGFR, ERBB3 CDC25A 233/4885CDC25B 230/4885MAPT 1653/4885
US-20100222257-A1 SUBSTITUTED PHENETHYLAMINES ADRB1, ADRA2C, ADRB2 CDC25A 3858/4885CDC25B 4226/4885MAPT 1647/4885

“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.