SCHEMBL742825

SCHEMBL742825

COc1ncc(Br)cc1NS(=O)(=O)C1CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.54
MTOR P42345 2/20 0.46
ATM Q13315 1/20 0.46
ATR Q13535 1/20 0.46
BRAF P15056 1/20 0.42
PIK3CD O00329 8/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CG P48736 2/20 0.41
CYP17A1 P05093 1/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL30902114 0.93 PIK3CA (0.48) PIK3CAMTORATMATRBRAF
SCHEMBL741557 0.93 PIK3CA (0.48) PIK3CAMTORATMATRBRAF
SCHEMBL3120337 0.86 MRGPRX1 (0.45) PIK3CAMTORATMATR
SCHEMBL17951262 0.84 PIK3CA (0.57) PIK3CAMTORATMATRBRAF
SCHEMBL114826 0.84 PIK3CD (0.52) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL29556703 0.84 PIK3CD (0.52) PIK3CAPIK3CDPIK3CBPIK3CG
Ammonia Solution, Strong SCHEMBL28553362 0.82 PIK3CD (0.51) PIK3CAPIK3CDPIK3CBPIK3CG
SCHEMBL25688983 0.82 PIK3CA (0.53) PIK3CAMTORATMATRBRAF
SCHEMBL3095677 0.81 PIK3C3 (0.51) PIK3CACYP17A1MEN1KMT2A
SCHEMBL24589113 0.81 PIK3CA (0.52) PIK3CAMTORATMATRBRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3299019-B1 HETEROAROMATIC COMPOUNDS AS PI3 KINASE MODULATORS AND METHODS OF USE CALITOR SCIENCES LLC (US) 2019-10-09 EP disclosed
EP-3299019-A1 HETEROAROMATIC COMPOUNDS AS PI3 KINASE MODULATORS AND METHODS OF USE Calitor Sciences, LLC (US) 2018-03-28 EP disclosed
US-9926324-B2 Heteroaromatic compounds as PI3 kinase modulators and methods of use CALITOR SCIENCES, LLC (US) 2018-03-27 US disclosed
EP-2919784-B1 HETEROAROMATIC COMPOUNDS AS PI3 KINASE MODULATORS AND METHODS OF USE CALITOR SCIENCES LLC (US) 2017-12-20 EP disclosed
EP-2280946-B1 4-CARBOXAMIDE INDAZOLE DERIVATIVES USEFUL AS INHIBITORS OF P13-KINASES GLAXO GROUP LTD (GB) 2016-02-10 EP disclosed
EP-2919784-A1 HETEROAROMATIC COMPOUNDS AS PI3 KINASE MODULATORS AND METHODS OF USE Calitor Sciences, LLC (US) 2015-09-23 EP disclosed
EP-2596793-B1 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2015-07-08 EP disclosed
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2014-10-02 US disclosed
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2014-10-02 US disclosed
US-8785433-B2 Quinoline derivatives as PI3 kinase inhibitors GLAXOSMITHKLINE LLC (US) 2014-07-22 US disclosed
WO-2008157191-A2 QUINAZOLINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 WO disclosed
WO-2008150827-A1 NAPHTHYRIDINE, DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-11 WO disclosed
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-12-04 US disclosed
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-12-04 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
US-20080293706-A1 QUINOXALINE DERIVATIVES AS PI3 KINASE INHIBITORS GLAXOSMITHKLINE LLC 2008-11-27 US disclosed
WO-2008144463-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 WO disclosed
WO-2008144464-A1 QUINOLINE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-11-27 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 PIK3CA 8/4885MTOR 92/4885ATM 290/4885
US-20140296224-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885MTOR 59/4885ATM 348/4885
US-20080300239-A1 QUINOLINE DERIVATIVES AS PI3 KINASE INHIBITORS PIK3CD, PIK3CG, PIK3CB PIK3CA 6/4885MTOR 59/4885ATM 348/4885

“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.