SCHEMBL3328803

SCHEMBL3328803

Cn1nnc(Cl)c1-c1ccc(C(=O)N[C@H](CN)Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 7/20 0.48
ROCK2 O75116 6/20 0.48
PRKG1 Q13976 4/20 0.48
PKN2 Q16513 4/20 0.48
CLK4 Q9HAZ1 4/20 0.48
PRKACA P17612 3/20 0.48
IRAK1 P51617 3/20 0.48
RPS6KA5 O75582 3/20 0.48
GSK3B P49841 3/20 0.48
PRKX P51817 2/20 0.48
MAPK1 P28482 2/20 0.48
GSK3A P49840 2/20 0.48
SGK2 Q9HBY8 2/20 0.48
RPS6KA4 O75676 1/20 0.48
CTRB1 P17538 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
PRKG2 Q13237 3/20 0.42
RPS6KB1 P23443 2/20 0.42
HIPK4 Q8NE63 2/20 0.42

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
SCHEMBL21828245 1.00 ROCK1 (0.48) ROCK1ROCK2PRKG1PKN2CLK4
SCHEMBL3335417 0.88 ROCK1 (0.56) ROCK1ROCK2PRKG1PKN2CLK4
SCHEMBL3335493 0.84 EPHX2 (0.41) ROCK1ROCK2PRKACAAKT1AKT2
SCHEMBL1530262 0.82 AKT3 (0.46) ROCK1ROCK2PRKACARPS6KB1AKT1
SCHEMBL14114746 0.82 AKT3 (0.46) ROCK1ROCK2PRKACARPS6KB1AKT1
SCHEMBL1529767 0.80 AKT1 (0.62) ROCK1ROCK2PRKACAGSK3BRPS6KB1
SCHEMBL3335485 0.80 ROCK1 (0.49) ROCK1ROCK2PRKG1PKN2CLK4
SCHEMBL1529570 0.79 AKT1 (0.52) ROCK1ROCK2PRKACAGSK3BRPS6KB1
SCHEMBL3329027 0.79 CTSB (0.53) ROCK1ROCK2PRKG1PKN2CLK4
SCHEMBL3335497 0.78 ROCK1 (0.49) ROCK1ROCK2PRKG1PKN2CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 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
EP-3860575-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS Race Oncology Ltd. (AU) 2021-08-11 EP 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
WO-2020072948-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS RACE ONCOLOGY LTD. (AU) 2020-04-09 WO disclosed
EP-3024457-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE Update Pharma Inc. (US) 2016-06-01 EP disclosed
WO-2015013581-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE UPDATE PHARMA INC. (US) 2015-01-29 WO disclosed
WO-2015013579-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE UPDATE PHARMA INC. (US) 2015-01-29 WO disclosed
US-8338434-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-12-25 US disclosed
US-8338434-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-12-25 US disclosed
US-8338434-B2 Inhibitors of Akt activity GLAXOSMITHKLINE LLC (US) 2012-12-25 US disclosed
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 US disclosed
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 US disclosed
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-06-03 US disclosed
WO-2008121786-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 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 (6 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 ROCK1 1875/4885ROCK2 2335/4885PRKG1 3967/4885
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY PI4KB, AKT3, AKT2 ROCK1 414/4885ROCK2 505/4885PRKG1 1192/4885
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, HCCS, MCL1 ROCK1 1421/4885ROCK2 2328/4885PRKG1 3803/4885
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, MCL1 ROCK1 1875/4885ROCK2 2335/4885PRKG1 3967/4885
US-20210379021-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS CYP3A43, CYP1A1, UGT1A3 ROCK1 2034/4885ROCK2 2762/4885PRKG1 4878/4885
US-20200163940-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE AND ANALOGS AND DERIVATIVES THEREOF CYP3A43, HCCS, MCL1 ROCK1 1421/4885ROCK2 2328/4885PRKG1 3803/4885

“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.