SCHEMBL1789291

SCHEMBL1789291

O=S(=O)(Nc1nc2ccccc2nc1Nc1ccccc1I)c1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
POLB P06746 3/20 0.64
DUSP26 Q9BV47 1/20 0.64
CDC25A P30304 1/20 0.61
CDC25B P30305 1/20 0.61
MEN1 O00255 7/20 0.57
KMT2A Q03164 7/20 0.57
MAPT P10636 5/20 0.56
TP53 P04637 1/20 0.56
BACE1 P56817 1/20 0.55
LMNA P02545 2/20 0.54
KDM4E B2RXH2 6/20 0.53
SMN1; SMN2 Q16637 4/20 0.53
HTT P42858 3/20 0.53
HSD17B10 Q99714 1/20 0.53
RXFP1 Q9HBX9 3/20 0.52
NPSR1 Q6W5P4 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.51
MAPK1 P28482 1/20 0.49
PLA2G1B P04054 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
SCHEMBL1790151 0.90 KDM4E (0.57) ALDH1A1POLBDUSP26MEN1KMT2A
SCHEMBL1799239 0.87 ALDH1A1 (0.67) ALDH1A1POLBDUSP26CDC25ACDC25B
SCHEMBL1790293 0.85 ALDH1A1 (0.64) ALDH1A1POLBDUSP26CDC25ACDC25B
SCHEMBL1792209 0.84 CDC25A (0.63) ALDH1A1POLBDUSP26CDC25ACDC25B
SCHEMBL1789288 0.83 CDC25A (0.75) ALDH1A1POLBDUSP26CDC25ACDC25B
SCHEMBL1789795 0.82 DUSP26 (0.70) ALDH1A1POLBDUSP26CDC25ACDC25B
SCHEMBL3151860 0.82 MAPT (0.71) ALDH1A1POLBDUSP26CDC25ACDC25B
SCHEMBL1792664 0.82 CDC25A (0.60) ALDH1A1POLBDUSP26CDC25ACDC25B
SCHEMBL1790930 0.82 CDC25A (0.77) ALDH1A1POLBDUSP26CDC25ACDC25B
SCHEMBL3147474 0.79 DUSP26 (0.57) ALDH1A1POLBDUSP26CDC25ACDC25B

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 37 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-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-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-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-20100087440-A1 Phosphatidylinositol 3-Kinase Inhibitors and Methods of Their Use PIK3CA, PIK3CB, PIK3CG ALDH1A1 3501/4885POLB 1317/4885DUSP26 314/4885
US-20100075947-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 ALDH1A1 4075/4885POLB 1302/4885DUSP26 90/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K ALDH1A1 2141/4885POLB 1650/4885DUSP26 1834/4885
US-20140271665-A1 Combinations of Kinase Inhibitors for the Treatment of Cancer ERBB2, EGFR, ERBB3 ALDH1A1 2948/4885POLB 3207/4885DUSP26 299/4885

“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.