Sugi Predict

Sugi Predict / Compounds / SCHEMBL188669

SCHEMBL188669

SCHEMBL188669

COc1cc(Nc2nc3ccccc3nc2NS(=O)(=O)c2ccc(Br)cc2)cc(OC)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 4/20 0.81
▸ PIK3CA P42336 3/20 0.81
▸ PIK3CG P48736 3/20 0.81
▸ PIK3CB P42338 2/20 0.81
▸ MTOR P42345 1/20 0.62
▸ PRKDC P78527 1/20 0.62
▸ RPTOR Q8N122 1/20 0.62
▸ MLST8 Q9BVC4 1/20 0.62
▸ MAPT P10636 9/20 0.62
▸ MEN1 O00255 8/20 0.60
▸ KMT2A Q03164 8/20 0.60
▸ ALDH1A1 P00352 3/20 0.59
▸ TP53 P04637 1/20 0.58
▸ KDM4E B2RXH2 4/20 0.56
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ HTT P42858 2/20 0.56
▸ RXFP1 Q9HBX9 1/20 0.56
▸ L3MBTL1 Q9Y468 1/20 0.56
▸ LMNA P02545 2/20 0.54
▸ TNF P01375 1/20 0.54

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
SCHEMBL188977 0.92 PIK3CG (0.87) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL1792019 0.91 PIK3CD (0.68) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL188557 0.91 PIK3CD (0.84) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL189089 0.90 PIK3CD (0.83) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL188903 0.90 PIK3CG (1.00) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL6996405 0.90 PIK3CD (0.83) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL2301857 0.90 PIK3CD (0.83) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL1790078 0.90 MAPT (0.76) PIK3CDPIK3CAPIK3CGPIK3CBMAPT
SCHEMBL189435 0.89 PIK3CD (0.71) PIK3CDPIK3CAPIK3CGPIK3CBMTOR
SCHEMBL2301901 0.89 PIK3CD (0.81) PIK3CDPIK3CAPIK3CGPIK3CBMTOR

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140100215-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2014-04-10 — — US claimed
US-20120302545-A1 Method of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2012-11-29 — — US claimed
EP-2056829-B9 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-09-26 — — EP claimed
EP-2056829-B1 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS INC (US) 2012-01-04 — — EP claimed
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS MERCK SERONO SA (CH) 2011-12-29 — — US claimed
US-8071597-B2 Pyrazine compounds and uses as PI3K inhibitors MERCK SERONO SA (CH) 2011-12-06 — — US claimed
EP-2351745-A1 Pyrazine derivatives and use as PI3K inhibitors Merck Serono S.A. (CH) 2011-08-03 — — EP claimed
US-20100075947-A1 Methods of Using PI3K and MEK Modulators EXELIXIS, INC. (US) 2010-03-25 — — US claimed
US-20090082356-A1 Pyrazine Derivatives and Use as P13k Inhibitors MERCK SERONO SA (CH) 2009-03-26 — — US claimed
JP-2009506015-A — — 2009-02-12 — — JP claimed
WO-2009017838-A2 COMBINATIONS OF JAK-2 INHIBITORS AND OTHER AGENTS EXELIXIS, INC. (US) 2009-02-05 — — WO claimed
EP-1917252-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2008-05-07 — — EP claimed
WO-2007023186-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-03-01 — — 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
WO-2008021389-A2 USING PI3K AND MEK MODULATORS IN TREATMENTS OF CANCER EXELIXIS, INC. (US) 2008-02-21 — — 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
WO-2007023186-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-03-01 — — WO disclosed
WO-2007023186-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2007-03-01 — — 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-20100075947-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CD 2/4885PIK3CA 1/4885PIK3CG 5/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CD 2/4885PIK3CA 1/4885PIK3CG 5/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CD 2/4885PIK3CA 1/4885PIK3CG 6/4885
US-20090082356-A1 Pyrazine Derivatives and Use as P13k Inhibitors PI4KA, PIP5K1B, PDPK1 PIK3CD 74/4885PIK3CA 70/4885PIK3CG 110/4885
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA PIK3CD 2/4885PIK3CA 3/4885PIK3CG 4/4885

“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.