SCHEMBL1591685

SCHEMBL1591685

Cn1ncc(Cl)c1-c1ncc(C(=O)N[C@H](CN)Cc2cccc(F)c2)s1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.76
AKT2 P31751 5/20 0.76
AKT3 Q9Y243 5/20 0.76
ROCK1 Q13464 4/20 0.76
PRKCA P17252 3/20 0.76
ROCK2 O75116 2/20 0.76
PRKCB P05771 2/20 0.76
PRKACA P17612 2/20 0.76
PRKACB P22694 2/20 0.76
PKN1 Q16512 2/20 0.76
PRKD2 Q9BZL6 2/20 0.76
CIT O14578 1/20 0.76
SGK1 O00141 1/20 0.53
PRKD3 O94806 1/20 0.53
LATS1 O95835 1/20 0.53
PRKCG P05129 1/20 0.53
RPS6KB1 P23443 1/20 0.53
PRKCH P24723 1/20 0.53
MARK3 P27448 1/20 0.53
PRKCI P41743 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
SCHEMBL28526551 1.00 AKT1 (0.76) AKT1AKT2AKT3ROCK1PRKCA
SCHEMBL1539506 0.87 AKT1 (0.61) AKT1AKT2AKT3ROCK1PRKCA
SCHEMBL12766573 0.87 AKT1 (0.74) AKT1AKT2AKT3ROCK1PRKCA
Afuresertib SCHEMBL187686 0.86 AKT1 (1.00) AKT1AKT2AKT3ROCK1PRKCA
Afuresertib SCHEMBL15020961 0.86 AKT1 (1.00) AKT1AKT2AKT3ROCK1PRKCA
Afuresertib SCHEMBL29360487 0.86 AKT1 (1.00) AKT1AKT2AKT3ROCK1PRKCA
Afuresertib SCHEMBL23858298 0.85 AKT1 (0.98) AKT1AKT2AKT3ROCK1PRKCA
SCHEMBL1529379 0.85 AKT1 (0.86) AKT1AKT2AKT3ROCK1PRKCA
Afuresertib SCHEMBL29432553 0.85 AKT1 (0.98) AKT1AKT2AKT3ROCK1PRKCA
Afuresertib SCHEMBL1364223 0.85 AKT1 (0.98) AKT1AKT2AKT3ROCK1PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110092423-A1 INHIBITORS OF Akt ACTIVITY GlaxoSmithKline, LLC 2011-04-21 US claimed
US-20210379021-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS RACE ONCOLOGY LTD (AU) 2021-12-09 US disclosed
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-113365610-A Methods of making and delivering bisantrene formulations 现代化制药公司 2021-09-07 CN 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
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
US-20110092423-A1 INHIBITORS OF Akt ACTIVITY GlaxoSmithKline, LLC 2011-04-21 US disclosed
US-20110092423-A1 INHIBITORS OF Akt ACTIVITY GlaxoSmithKline, LLC 2011-04-21 US disclosed
US-20110092423-A1 INHIBITORS OF Akt ACTIVITY GlaxoSmithKline, LLC 2011-04-21 US disclosed
WO-2009158372-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2009-12-30 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 (11 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 AKT1 1216/4885AKT2 1329/4885AKT3 1098/4885
US-20110092423-A1 INHIBITORS OF Akt ACTIVITY AKT2, AKT1, PIK3CA AKT1 2/4885AKT2 1/4885AKT3 7/4885
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, HCCS, MCL1 AKT1 1236/4885AKT2 1565/4885AKT3 1286/4885
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, MCL1 AKT1 1216/4885AKT2 1329/4885AKT3 1098/4885
US-20210379021-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS CYP3A43, CYP1A1, UGT1A3 AKT1 3945/4885AKT2 4183/4885AKT3 4012/4885
US-20200163940-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, HCCS, MCL1 AKT1 1236/4885AKT2 1565/4885AKT3 1286/4885
US-20190076404-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, CYP11B2 AKT1 1680/4885AKT2 1869/4885AKT3 1641/4885
US-20180256549-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, MCL1 AKT1 1216/4885AKT2 1329/4885AKT3 1098/4885
US-20160220537-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, CYP11B2 AKT1 1680/4885AKT2 1869/4885AKT3 1641/4885
US-20160166546-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, CYP11B1, MCL1 AKT1 1216/4885AKT2 1329/4885AKT3 1098/4885
US-10548876-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, CYP11B2 AKT1 1680/4885AKT2 1869/4885AKT3 1641/4885

“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.