SCHEMBL790984

SCHEMBL790984

CC1(C)OB(c2cncc(NS(=O)(=O)c3ccccc3)c2)OC1(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.48
PIK3CB P42338 1/20 0.48
PIK3CG P48736 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
PIK3CA P42336 7/20 0.44
NR1I2 O75469 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC7 Q8WUI4 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC10 Q969S8 1/20 0.43
HDAC11 Q96DB2 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HDAC9 Q9UKV0 1/20 0.43
HDAC5 Q9UQL6 1/20 0.43
IL1RN P18510 1/20 0.43

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
SCHEMBL8204697 0.89 PIK3CB (0.51) ALPLPIK3CBCA1CA2CA9
SCHEMBL15648607 0.86 PIK3CB (0.54) ALPLPIK3CBCA1CA2CA9
SCHEMBL13180233 0.84 PIK3CB (0.43) ALPLPIK3CBPIK3CGPIK3CANR1I2
SCHEMBL11894843 0.83 HTR6 (0.51) CA1CA2CA9HDAC3HDAC4
SCHEMBL35210090 0.81 CA1 (0.46) ALPLPIK3CBCA1CA2CA9
SCHEMBL1558834 0.81 CA1 (0.46) ALPLPIK3CBCA1CA2CA9
SCHEMBL1331630 0.81 CA1 (0.64) CA1CA2CA9NR1I2HDAC3
SCHEMBL462147 0.79 PIK3CB (0.55) ALPLPIK3CBPIK3CA
SCHEMBL20995717 0.79 CA9 (0.62) CA1CA2CA9HDAC3HDAC4
SCHEMBL20523442 0.78 PGR (0.47) ALPLCA1CA2CA9HDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10947225-B2 Phosphotidylinositol 3-kinase inhibitors EMORY UNIVERSITY (US) 2021-03-16 US disclosed
US-10947225-B2 Phosphotidylinositol 3-kinase inhibitors EMORY UNIVERSITY (US) 2021-03-16 US disclosed
US-20190202826-A1 Phosphotidylinositol 3-Kinase Inhibitors UNIV EMORY (US) 2019-07-04 US disclosed
US-20190202826-A1 Phosphotidylinositol 3-Kinase Inhibitors UNIV EMORY (US) 2019-07-04 US disclosed
EP-3454852-A1 PHOSPHOTIDYLINOSITOL 3-KINASE INHIBITORS Emory University (US) 2019-03-20 EP disclosed
WO-2017197151-A1 PHOSPHOTIDYLINOSITOL 3-KINASE INHIBITORS EMORY UNIVERSITY (US) 2017-11-16 WO disclosed
US-9422298-B2 Pyridopyrimidine derivatives and use thereof CMG PHARMACEUTICAL CO., LTD. (KR) 2016-08-23 US disclosed
US-9422298-B2 Pyridopyrimidine derivatives and use thereof CMG PHARMACEUTICAL CO., LTD. (KR) 2016-08-23 US disclosed
US-9422298-B2 Pyridopyrimidine derivatives and use thereof CMG PHARMACEUTICAL CO., LTD. (KR) 2016-08-23 US disclosed
US-9073924-B2 Azaindazoles GLAXOSMITHKLINE LLC (US) 2015-07-07 US disclosed
US-7592342-B2 Quinoxaline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-7592342-B2 Quinoxaline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
US-7592342-B2 Quinoxaline derivatives as PI3 kinase inhibitors SMITHKLINE BEECHAM CORPORATION (US) 2009-09-22 US disclosed
WO-2009039140-A1 PYRIDOPYRIMIDINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2009-03-26 WO disclosed
WO-2008150827-A1 NAPHTHYRIDINE, DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-11-27 US disclosed
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-11-27 US disclosed
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-11-27 US disclosed
WO-2008141065-A1 QUINOXALINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-20 WO disclosed
WO-2008141065-A1 QUINOXALINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-20 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 (3 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-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS PIP5K1A, PIK3CB, PIK3CG ALPL 3010/4885PIK3CB 2/4885PIK3CG 3/4885
US-20190202826-A1 Phosphotidylinositol 3-Kinase Inhibitors PIK3CA, PIK3CB, PIK3CG ALPL 3888/4885PIK3CB 2/4885PIK3CG 3/4885
US-10947225-B2 Phosphotidylinositol 3-kinase inhibitors PIK3CA, PIK3CB, PIK3CG ALPL 3888/4885PIK3CB 2/4885PIK3CG 3/4885

“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.