SCHEMBL1114247

SCHEMBL1114247

CCCn1c(C(C)(C)O)nc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc21

nearest known ligand 0.86

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 18/20 0.86
MTOR P42345 8/20 0.86
PIK3CD O00329 7/20 0.86
PIK3CG P48736 5/20 0.53
PIK3CB P42338 4/20 0.53
SYK P43405 1/20 0.53
MAP3K9 P80192 1/20 0.53
RPTOR Q8N122 1/20 0.52
MLST8 Q9BVC4 1/20 0.52
PIK3R1 P27986 3/20 0.51
HDAC1 Q13547 3/20 0.51
HDAC3 O15379 1/20 0.49
HDAC4 P56524 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49

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
SCHEMBL1113885 0.94 PIK3CA (0.83) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL1114177 0.93 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL31147861 0.93 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL1114044 0.91 PIK3CA (0.90) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL1114115 0.87 PIK3CA (0.77) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL1114007 0.82 PIK3CA (1.00) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL1114172 0.79 PIK3CA (0.54) PIK3CAMTORPIK3CDPIK3CBHDAC1
SCHEMBL1114166 0.77 PIK3CA (0.62) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL10263334 0.76 PIK3CA (0.61) PIK3CAMTORPIK3CDPIK3CGPIK3CB
SCHEMBL31147817 0.75 PIK3CA (0.70) PIK3CAMTORPIK3CDPIK3CGPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2279188-B1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH INC (US) 2015-01-28 EP claimed
US-8445487-B2 Purine PI3K inhibitor compounds and methods of use GENENTECH, INC. (US) 2013-05-21 US claimed
US-20120135988-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE CASTANEDO GEORGETTE (US) 2012-05-31 US claimed
US-8158624-B2 Purine PI3K inhibitor compounds and methods of use GENETECH, INC. (US) 2012-04-17 US claimed
EP-2279188-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-02-02 EP claimed
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2009-12-24 US claimed
WO-2009146406-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-12-03 WO claimed
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof RACE ONCOLOGY LTD. (AU) 2021-10-19 US disclosed
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-20200163939-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF SG CREDIT PARTNERS, INC. 2020-05-28 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-8158624-B2 Purine PI3K inhibitor compounds and methods of use GENETECH, INC. (US) 2012-04-17 US disclosed
EP-2279188-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE Genentech, Inc. (US) 2011-02-02 EP disclosed
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2009-12-24 US disclosed
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2009-12-24 US disclosed
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2009-12-24 US disclosed
WO-2009146406-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-12-03 WO disclosed
WO-2009146406-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-12-03 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 (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-20200163939-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-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG PIK3CA 1/4885MTOR 75/4885PIK3CD 2/4885
US-20120135988-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG PIK3CA 1/4885MTOR 75/4885PIK3CD 2/4885
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-11147800-B2 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-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-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.