Sugi Predict

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SCHEMBL189609

SCHEMBL189609

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

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 3/20 0.81
▸ PIK3CA P42336 3/20 0.81
▸ PIK3CB P42338 2/20 0.81
▸ PIK3CG P48736 2/20 0.81
▸ MAPT P10636 7/20 0.73
▸ TP53 P04637 1/20 0.73
▸ CDC25A P30304 1/20 0.65
▸ CDC25B P30305 1/20 0.65
▸ MTOR P42345 1/20 0.62
▸ PRKDC P78527 1/20 0.62
▸ RPTOR Q8N122 1/20 0.62
▸ MLST8 Q9BVC4 1/20 0.62
▸ MEN1 O00255 5/20 0.60
▸ KMT2A Q03164 5/20 0.60
▸ BACE1 P56817 1/20 0.60
▸ ALDH1A1 P00352 2/20 0.59
▸ POLB P06746 1/20 0.58
▸ DUSP26 Q9BV47 1/20 0.56

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
SCHEMBL189335 0.92 PIK3CD (0.76) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL188977 0.92 PIK3CG (0.87) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL2305041 0.91 MAPT (0.83) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL188557 0.91 PIK3CD (0.84) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL2301899 0.90 PIK3CD (0.70) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL2355912 0.90 PIK3CD (0.70) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL2303217 0.90 PIK3CD (0.72) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL2301857 0.90 PIK3CD (0.83) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL6996405 0.90 PIK3CD (0.83) PIK3CDPIK3CAPIK3CBPIK3CGMAPT
SCHEMBL188903 0.90 PIK3CG (1.00) PIK3CDPIK3CAPIK3CBPIK3CGMAPT

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 77 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
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-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
EP-1917252-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS LABORATOIRES SERONO S.A. (CH) 2008-05-07 — — EP 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 1/4885PIK3CB 9/4885
US-20140100215-A1 Methods of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CD 2/4885PIK3CA 1/4885PIK3CB 9/4885
US-20120302545-A1 Method of Using PI3K and MEK Modulators PIK3CA, PIK3CD, PIK3R1 PIK3CD 2/4885PIK3CA 1/4885PIK3CB 12/4885
US-20090082356-A1 Pyrazine Derivatives and Use as P13k Inhibitors PI4KA, PIP5K1B, PDPK1 PIK3CD 74/4885PIK3CA 70/4885PIK3CB 69/4885
US-20110319410-A1 PYRAZINE DERIVATIVES AND USE AS PI3K INHIBITORS PIK3R5, PIK3CD, PIK3CA PIK3CD 2/4885PIK3CA 3/4885PIK3CB 5/4885

“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.