Sugi Predict

Sugi Predict / Compounds / SCHEMBL1789459

SCHEMBL1789459

SCHEMBL1789459

O=S(=O)(Nc1nc2ccccc2nc1Nc1ccc(Nc2ccccc2)cc1)c1ccc(Br)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 9/20 0.68
▸ MEN1 O00255 7/20 0.68
▸ KMT2A Q03164 7/20 0.68
▸ KDM4E B2RXH2 3/20 0.68
▸ SMN1; SMN2 Q16637 2/20 0.67
▸ MAPK1 P28482 1/20 0.67
▸ ALDH1A1 P00352 2/20 0.64
▸ HTT P42858 2/20 0.64
▸ RXFP1 Q9HBX9 1/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.64
▸ POLB P06746 1/20 0.62
▸ GFER P55789 1/20 0.62
▸ EGFR P00533 1/20 0.60
▸ GAA P10253 3/20 0.59
▸ TTR P02766 1/20 0.59
▸ HPGD P15428 1/20 0.58
▸ CDC25A P30304 1/20 0.57
▸ CDC25B P30305 1/20 0.57
▸ CTNNB1 P35222 1/20 0.56
▸ BACE1 P56817 1/20 0.55

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
SCHEMBL1792290 0.97 SMN1; SMN2 (0.70) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL1788588 0.96 MEN1 (0.68) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL1792241 0.90 MAPT (0.76) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL1788654 0.90 TTR (0.73) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL1792192 0.90 MEN1 (0.73) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL12292684 0.90 MAPT (0.62) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL12292699 0.90 MEN1 (0.61) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL1793450 0.90 TTR (0.73) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL1788293 0.90 MEN1 (0.68) MAPTMEN1KMT2AKDM4ESMN1; SMN2
SCHEMBL1789934 0.90 MEN1 (0.68) MAPTMEN1KMT2AKDM4ESMN1; 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 27 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
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-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-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

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 MAPT 3587/4885MEN1 3161/4885KMT2A 2013/4885
US-20100075947-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4580/4885MEN1 1310/4885KMT2A 1063/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 MAPT 4580/4885MEN1 1310/4885KMT2A 1063/4885
US-20110123434-A1 COMBINATION THERAPIES COMPRISING QUINOXALINE INHIBITORS OF P13K-ALPHA FOR USE IN THE TREATMENT OF CANCER TP53, PHKG1, TNNI3K MAPT 4242/4885MEN1 1197/4885KMT2A 1079/4885
US-20140271665-A1 Combinations of Kinase Inhibitors for the Treatment of Cancer ERBB2, EGFR, ERBB3 MAPT 1653/4885MEN1 2255/4885KMT2A 830/4885

“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.