SCHEMBL1790728

SCHEMBL1790728

CCCCCCCCOc1ccc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.67
▸ BACE1 P56817 1/20 0.59
▸ POLB P06746 1/20 0.58
▸ GFER P55789 1/20 0.58
▸ KMT2A Q03164 9/20 0.58
▸ MEN1 O00255 8/20 0.58
▸ KDM4E B2RXH2 4/20 0.58
▸ GAA P10253 3/20 0.58
▸ LMNA P02545 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ HSD17B10 Q99714 1/20 0.54
▸ RXFP1 Q9HBX9 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ MAPK1 P28482 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ EGFR P00533 1/20 0.51
▸ PIK3CG P48736 1/20 0.50
▸ TTR P02766 1/20 0.50

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
SCHEMBL3151468 0.88 BACE1 (0.76) MAPTBACE1POLBGFERKMT2A
SCHEMBL3139309 0.88 MAPT (0.85) MAPTBACE1POLBGFERKMT2A
SCHEMBL10953635 0.84 MEN1 (0.65) MAPTKMT2AMEN1GAALMNA
SCHEMBL12363010 0.83 MAPT (0.85) MAPTBACE1POLBGFERKMT2A
SCHEMBL3137612 0.82 MAPT (0.79) MAPTPOLBGFERKMT2AMEN1
SCHEMBL14301334 0.81 MAPT (0.84) MAPTBACE1POLBGFERKMT2A
SCHEMBL1791727 0.81 MAPT (1.00) MAPTBACE1KMT2AMEN1KDM4E
SCHEMBL1791267 0.81 MAPT (0.84) MAPTBACE1POLBGFERKMT2A
SCHEMBL1789095 0.80 MAPT (0.56) MAPTBACE1POLBGFERKMT2A
SCHEMBL6992332 0.80 MAPT (0.82) MAPTBACE1POLBGFERKMT2A

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 33 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-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
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-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 (6 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 MAPT 3587/4885BACE1 2478/4885POLB 1317/4885
US-20100075947-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4580/4885BACE1 3793/4885POLB 1302/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4580/4885BACE1 3793/4885POLB 1302/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K MAPT 4242/4885BACE1 3003/4885POLB 1650/4885
US-20140271665-A1 Combinations of Kinase Inhibitors for the Treatment of Cancer ERBB2, EGFR, ERBB3 MAPT 1653/4885BACE1 4046/4885POLB 3207/4885
US-20100222257-A1 SUBSTITUTED PHENETHYLAMINES ADRB1, ADRA2C, ADRB2 MAPT 1647/4885BACE1 3038/4885POLB 2217/4885

“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.

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