SCHEMBL1114205

SCHEMBL1114205

Nc1ncc(-c2nc(N3CCOCC3)c3ncn(CCC(=O)O)c3n2)cn1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.73
HDAC1 Q13547 14/20 0.73
PIK3R1 P27986 10/20 0.73
MTOR P42345 6/20 0.73
PIK3CD O00329 5/20 0.73
PIK3CB P42338 4/20 0.73
PIK3CG P48736 4/20 0.73
HDAC3 O15379 2/20 0.60
HDAC2 Q92769 2/20 0.60
HDAC10 Q969S8 2/20 0.60
HDAC8 Q9BY41 2/20 0.60
HDAC6 Q9UBN7 2/20 0.60
NCOR2 Q9Y618 2/20 0.60
PIK3C2B O00750 1/20 0.53
PRKDC P78527 1/20 0.53
PIK3C3 Q8NEB9 1/20 0.53
HDAC11 Q96DB2 1/20 0.53

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
SCHEMBL1114008 0.90 PIK3CA (0.71) PIK3CAHDAC1PIK3R1MTORPIK3CD
SCHEMBL1113976 0.90 PIK3CA (0.67) PIK3CAHDAC1PIK3R1MTORPIK3CD
SCHEMBL1113988 0.88 PIK3CA (0.71) PIK3CAHDAC1PIK3R1MTORPIK3CD
SCHEMBL1114001 0.87 PIK3CA (0.72) PIK3CAHDAC1PIK3R1MTORPIK3CD
SCHEMBL1114156 0.86 PIK3CA (0.73) PIK3CAHDAC1PIK3R1MTORPIK3CD
SCHEMBL17087318 0.85 HDAC1 (1.00) PIK3CAHDAC1PIK3R1MTORPIK3CD
SCHEMBL1114197 0.84 PIK3CA (0.65) PIK3CAHDAC1PIK3R1MTORPIK3CD
SCHEMBL1114120 0.84 PIK3CA (0.63) PIK3CAHDAC1PIK3R1MTORPIK3CD
SCHEMBL1113727 0.84 PIK3CA (0.63) PIK3CAHDAC1PIK3R1MTORPIK3CD
SCHEMBL1113742 0.84 PIK3CA (0.63) PIK3CAHDAC1PIK3R1MTORPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102105474-B Purine PI3K inhibitor compounds and methods of use GENENTECH INC 2014-01-08 CN 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
CN-102105474-A Purine PI3K inhibitor compounds and methods of use GENENTECH INC 2011-06-22 CN 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
CN-112472699-A Combination methods for improving the therapeutic benefit of bisantrene and derivatives 种族肿瘤学公司 2021-03-12 CN 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
CN-102105474-A Purine PI3K inhibitor compounds and methods of use GENENTECH INC 2011-06-22 CN 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 (7 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 1228/4885HDAC1 130/4885PIK3R1 1490/4885
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG PIK3CA 1/4885HDAC1 3176/4885PIK3R1 17/4885
US-20120135988-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG PIK3CA 1/4885HDAC1 3176/4885PIK3R1 17/4885
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, HCCS, MCL1 PIK3CA 426/4885HDAC1 246/4885PIK3R1 1201/4885
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, MCL1 PIK3CA 1228/4885HDAC1 130/4885PIK3R1 1490/4885
US-20200163940-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, HCCS, MCL1 PIK3CA 426/4885HDAC1 246/4885PIK3R1 1201/4885
US-10548876-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, CYP11B2 PIK3CA 1050/4885HDAC1 189/4885PIK3R1 1911/4885

“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.