Sugi Predict

Sugi Predict / Compounds / SCHEMBL3333532

SCHEMBL3333532

SCHEMBL3333532

Cn1ncnc1-c1ccc(C(=O)N[C@H](CN)Cc2ccccc2C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 1/20 0.43
▸ AKT2 P31751 1/20 0.43
▸ AKT3 Q9Y243 1/20 0.43
▸ EPHX2 P34913 11/20 0.40
▸ PPARG P37231 8/20 0.39
▸ TAOK1 Q7L7X3 1/20 0.38
▸ TAOK3 Q9H2K8 1/20 0.38
▸ P2RY14 Q15391 1/20 0.37
▸ NTRK1 P04629 1/20 0.36
▸ SCN9A Q15858 1/20 0.36
▸ HDAC4 P56524 3/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL1529692 0.86 AKT1 (0.45) AKT1AKT2AKT3NTRK1
SCHEMBL14041939 0.86 MEN1 (0.37) EPHX2PPARGTAOK1TAOK3P2RY14
SCHEMBL3333030 0.86 MEN1 (0.37) EPHX2PPARGTAOK1TAOK3P2RY14
SCHEMBL3337867 0.86 AKT1 (0.43) AKT1AKT2AKT3EPHX2PPARG
SCHEMBL1529531 0.85 AKT1 (0.42) AKT1AKT2AKT3EPHX2PPARG
SCHEMBL3335497 0.83 ROCK1 (0.49) AKT1AKT2AKT3HDAC4HDAC6
SCHEMBL1529547 0.83 AKT1 (0.51) AKT1AKT2AKT3EPHX2NTRK1
SCHEMBL14114750 0.81 AKT3 (0.52) AKT1AKT2AKT3
SCHEMBL1529540 0.81 AKT3 (0.52) AKT1AKT2AKT3
SCHEMBL3328881 0.81 AKT1 (0.41) AKT1AKT2AKT3EPHX2PPARG

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-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-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
WO-2020072948-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS RACE ONCOLOGY LTD. (AU) 2020-04-09 — — WO disclosed
EP-3024456-A1 COMBINATORIAL METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE Update Pharma Inc. (US) 2016-06-01 — — EP disclosed
WO-2015013579-A1 COMPOSITIONS TO IMPROVE THE THERAPEUTIC BENEFIT OF BISANTRENE UPDATE PHARMA INC. (US) 2015-01-29 — — WO disclosed
WO-2015013581-A1 COMBINATORIAL METHODS 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 AKT1 1216/4885AKT2 1329/4885AKT3 1098/4885
US-20100137338-A1 INHIBITORS OF Akt ACTIVITY PI4KB, AKT3, AKT2 AKT1 4/4885AKT2 3/4885AKT3 2/4885
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

“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.