SCHEMBL627675

SCHEMBL627675

COc1ncc(-c2ccc3nccc(-c4ccnnc4)c3c2)cc1NS(=O)(=O)c1ccc(F)c(F)c1

nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.77
MTOR P42345 5/20 0.77
PIK3CD O00329 3/20 0.77
PIK3CB P42338 3/20 0.77
PIK3CG P48736 3/20 0.77
PIK3R1 P27986 1/20 0.77
PRKDC P78527 1/20 0.77
PDE4D Q08499 1/20 0.77
RICTOR Q6R327 1/20 0.77
RPTOR Q8N122 1/20 0.77
PIK3C3 Q8NEB9 1/20 0.77
PIP4K2C Q8TBX8 1/20 0.77
MAPKAP1 Q9BPZ7 1/20 0.77
MLST8 Q9BVC4 1/20 0.77
IRAK3 Q9Y616 1/20 0.77

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
SCHEMBL624445 0.88 PIK3CA (0.73) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL15599518 0.87 PIK3CA (0.74) PIK3CAMTORPIK3CDPIK3CBPIK3CG
Omipalisib SCHEMBL29352875 0.87 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
Omipalisib SCHEMBL623194 0.87 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
Omipalisib SCHEMBL29358168 0.87 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL25495122 0.81 PIK3CA (0.83) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL20734873 0.80 PIK3CA (0.88) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL17060461 0.79 PIK3CA (0.78) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL731865 0.79 PIK3CA (0.72) PIK3CAMTORPIK3CDPIK3CBPIK3CG
SCHEMBL25494702 0.78 PIK3CA (0.66) PIK3CAMTORPIK3CDPIK3CBPIK3CG

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2603078-A1 COMBINATION GlaxoSmithKline LLC (US) 2013-06-19 EP claimed
US-20130137701-A1 COMBINATION GLAXOSMITHKLINE LLC 2013-05-30 US claimed
WO-2012021480-A1 COMBINATION GLAXOSMITHKLINE LLC (US) 2012-02-16 WO claimed
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-05 US disclosed
US-20200163940-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF RACE ONCOLOGY LTD. (AU) 2020-05-28 US disclosed
US-10548876-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2020-02-04 US disclosed
US-20190076404-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF RACE ONCOLOGY LTD. (AU) 2019-03-14 US disclosed
US-20180256549-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF RACE ONCOLOGY LTD. (AU) 2018-09-13 US disclosed
US-9993460-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2018-06-12 US disclosed
US-9974774-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2018-05-22 US disclosed
US-20160220537-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF RACE ONCOLOGY LTD. (AU) 2016-08-04 US disclosed
US-20160166546-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF RACE ONCOLOGY LTD. (AU) 2016-06-16 US 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 (8 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-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, HCCS, MCL1 PIK3CA 426/4885MTOR 2949/4885PIK3CD 1353/4885
US-20130137701-A1 COMBINATION KRAS, NQO2, QDPR PIK3CA 1234/4885MTOR 3366/4885PIK3CD 2659/4885
US-20200163940-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, HCCS, MCL1 PIK3CA 426/4885MTOR 2949/4885PIK3CD 1353/4885
US-20190076404-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, CYP11B2 PIK3CA 1050/4885MTOR 2890/4885PIK3CD 2262/4885
US-20180256549-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, MCL1 PIK3CA 1228/4885MTOR 2086/4885PIK3CD 2515/4885
US-20160220537-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, CYP11B2 PIK3CA 1050/4885MTOR 2890/4885PIK3CD 2262/4885
US-20160166546-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, MCL1 PIK3CA 1228/4885MTOR 2086/4885PIK3CD 2515/4885
US-10548876-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, CYP11B2 PIK3CA 1050/4885MTOR 2890/4885PIK3CD 2262/4885

“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.