SCHEMBL2277810

SCHEMBL2277810

CC(=O)N1CCN(c2ncc(-c3ccccc3)c(-c3ccc(CN4CCC(c5nnc(-c6ccccn6)[nH]5)CC4)cc3)n2)CC1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.68
AKT2 P31751 20/20 0.68
KCNH2 Q12809 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
SCHEMBL3894411 0.93 AKT1 (0.79) AKT1AKT2KCNH2
SCHEMBL2279094 0.91 AKT1 (0.66) AKT1AKT2KCNH2
SCHEMBL2271523 0.89 AKT1 (0.68) AKT1AKT2KCNH2
SCHEMBL3901892 0.87 AKT1 (0.80) AKT1AKT2KCNH2
SCHEMBL2275346 0.87 AKT1 (0.69) AKT1AKT2KCNH2
SCHEMBL3891066 0.87 AKT1 (0.69) AKT1AKT2KCNH2
SCHEMBL3896584 0.85 AKT1 (0.80) AKT1AKT2KCNH2
SCHEMBL3904247 0.84 AKT1 (0.78) AKT1AKT2KCNH2
SCHEMBL2271586 0.84 AKT1 (0.55) AKT1AKT2KCNH2
SCHEMBL3893494 0.83 AKT1 (0.79) AKT1AKT2KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8003643-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2011-08-23 US claimed
US-20100075970-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. 2010-03-25 US claimed
EP-1737843-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2009-01-28 EP claimed
US-20080280889-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US claimed
EP-1737843-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2007-01-03 EP claimed
WO-2005100344-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2005-10-27 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-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-20 US disclosed
US-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2019-06-13 US disclosed
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS INC (CA) 2018-03-15 US disclosed
WO-2017075052-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DELMAR PHARMACEUTICALS, INC. (CA) 2017-05-04 WO disclosed
US-8003643-B2 Inhibitors of Akt activity MERCK SHARP & DOHME CORP. (US) 2011-08-23 US disclosed
US-20100075970-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. 2010-03-25 US disclosed
US-7655649-B2 Cancer; N,N-dimethyl-5-phenyl-6-(4-{[4-(5-pyridin-2-yl-1H-pyrazol-3-yl)piperidin-1-yl]methyl}phenyl) pyridazin-3-amine;; serine/threonine kinase (Akt) suppression; increased cellular potency or solubility, enhanced pharmacokinetic properties MERCK SHARP & DOHME CORP. (US) 2010-02-02 US disclosed
EP-1737843-A4 INHIBITORS OF AKT ACTIVITY MERCK & CO INC (US) 2009-01-28 EP disclosed
US-20080280889-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-13 US disclosed
EP-1737843-A1 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2007-01-03 EP disclosed
WO-2005100344-A1 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2005-10-27 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-20190175541-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 AKT1 829/4885AKT2 1108/4885KCNH2 4730/4885
US-11446274-B2 Use of dianhydrogalactitol or derivatives or analogs thereof for treatment of pediatric central nervous system malignancies DCK, CDC7, DNMT1 AKT1 829/4885AKT2 1108/4885KCNH2 4730/4885
US-20100075970-A1 INHIBITORS OF AKT ACTIVITY PIK3CA, AKT2, AKT1 AKT1 3/4885AKT2 2/4885KCNH2 4512/4885
US-20180071244-A1 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 AKT1 829/4885AKT2 1108/4885KCNH2 4730/4885
US-20190183843-A9 USE OF DIANHYDROGALACTITOL OR DERIVATIVES OR ANALOGS THEREOF FOR TREATMENT OF PEDIATRIC CENTRAL NERVOUS SYSTEM MALIGNANCIES DCK, CDC7, DNMT1 AKT1 829/4885AKT2 1108/4885KCNH2 4730/4885
US-20080280889-A1 Inhibitors of Akt Activity AKT2, PIK3CA, AKT1 AKT1 3/4885AKT2 1/4885KCNH2 4607/4885

“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.