SCHEMBL3487959

SCHEMBL3487959

CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC[C@@H]3CNCCO3)c21

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.80
ROCK1 Q13464 15/20 0.80
RPS6KA1 Q15418 15/20 0.80
AKT2 P31751 14/20 0.80
RPS6KA5 O75582 6/20 0.80
AKT3 Q9Y243 6/20 0.78
GSK3B P49841 5/20 0.78
CIT O14578 1/20 0.78
DCLK1 O15075 1/20 0.78
DAPK3 O43293 1/20 0.78
NUAK1 O60285 1/20 0.78
PIP5K1C O60331 1/20 0.78
ROCK2 O75116 1/20 0.78
ULK1 O75385 1/20 0.78
RPS6KA4 O75676 1/20 0.78
PRKD3 O94806 1/20 0.78
SMC2 O95347 1/20 0.78
LATS1 O95835 1/20 0.78
PAK4 O96013 1/20 0.78
CHEK2 O96017 1/20 0.78

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
SCHEMBL3487654 1.00 AKT1 (0.80) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL13435150 1.00 AKT1 (0.80) AKT1ROCK1RPS6KA1AKT2RPS6KA5
Hydrochloric Acid SCHEMBL3487539 0.99 AKT1 (0.79) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL18797652 0.89 AKT1 (0.64) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL13435151 0.89 AKT1 (0.74) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL3488371 0.89 AKT1 (0.74) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL3487696 0.89 AKT1 (1.00) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL14536482 0.89 AKT1 (0.62) AKT1ROCK1RPS6KA1AKT2RPS6KA5
SCHEMBL14050840 0.89 AKT1 (0.62) AKT1ROCK1RPS6KA1AKT2RPS6KA5
Hydrochloric Acid SCHEMBL3487623 0.88 AKT1 (0.73) AKT1ROCK1RPS6KA1AKT2RPS6KA5

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
US-20100056523-A1 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION 2010-03-04 US claimed
US-7625890-B2 Substituted imidazo[4,5-c]pyridine compounds as Akt inhibitors SMITHKLINE BEECHAM CORP. (US) 2009-12-01 US claimed
WO-2008121685-A1 METHODS OF USE FOR INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 WO claimed
EP-1948188-A2 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2008-07-30 EP claimed
US-20080076763-A1 Inhibitors of Akt activity GLAXOSMITHKLINE LLC 2008-03-27 US claimed
WO-2007058850-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-24 WO claimed
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DEL MAR PHARMACEUTICALS (BC) LTD. (CA) 2022-09-20 US disclosed
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-7625890-B2 Substituted imidazo[4,5-c]pyridine compounds as Akt inhibitors SMITHKLINE BEECHAM CORP. (US) 2009-12-01 US disclosed
WO-2008121685-A1 METHODS OF USE FOR INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2008-10-09 WO disclosed
EP-1948188-A2 INHIBITORS OF AKT ACTIVITY SmithKline Beecham Corporation (US) 2008-07-30 EP disclosed
US-20080076763-A1 Inhibitors of Akt activity GLAXOSMITHKLINE LLC 2008-03-27 US disclosed
US-20080076763-A1 Inhibitors of Akt activity GLAXOSMITHKLINE LLC 2008-03-27 US disclosed
US-20080076763-A1 Inhibitors of Akt activity GLAXOSMITHKLINE LLC 2008-03-27 US disclosed
WO-2007058850-A2 INHIBITORS OF AKT ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-24 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-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 AKT1 829/4885ROCK1 2789/4885RPS6KA1 2404/4885
US-20080076763-A1 Inhibitors of Akt activity PI4KB, PIK3CA, AKT2 AKT1 5/4885ROCK1 478/4885RPS6KA1 127/4885
US-11135201-B2 Compositions to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, HCCS, MCL1 AKT1 1236/4885ROCK1 1421/4885RPS6KA1 1411/4885
US-11147800-B2 Combinatorial methods to improve the therapeutic benefit of bisantrene and analogs and derivatives thereof CYP3A43, CYP11B1, MCL1 AKT1 1216/4885ROCK1 1875/4885RPS6KA1 1310/4885
US-20100056523-A1 INHIBITORS OF AKT ACTIVITY PI4KB, PIK3CA, AKT2 AKT1 5/4885ROCK1 478/4885RPS6KA1 127/4885
US-20210379021-A1 METHOD FOR PREPARING AND DELIVERING BISANTRENE FORMULATIONS CYP3A43, CYP1A1, UGT1A3 AKT1 3945/4885ROCK1 2034/4885RPS6KA1 2368/4885

“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.