SCHEMBL12759252

SCHEMBL12759252

COc1nccc2nc(-c3ccc(CN4CCC(C)CC4)cc3)c(-c3ccccc3)cc12

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.51
AKT2 P31751 18/20 0.51
KCNH2 Q12809 6/20 0.49
HTR7 P34969 1/20 0.46

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
SCHEMBL12759376 0.87 AKT1 (0.53) AKT1AKT2KCNH2
SCHEMBL1501777 0.82 AKT1 (0.58) AKT1AKT2KCNH2
SCHEMBL1501764 0.81 AKT1 (0.74) AKT1AKT2KCNH2
SCHEMBL1501801 0.81 AKT1 (0.44) AKT1AKT2KCNH2
SCHEMBL5493712 0.80 AKT1 (0.49) AKT1AKT2KCNH2
SCHEMBL1349923 0.80 SGK1 (0.40)
SCHEMBL1501601 0.79 AKT1 (0.56) AKT1AKT2KCNH2
SCHEMBL12759328 0.79 AKT1 (0.53) AKT1AKT2
SCHEMBL12759248 0.78 AKT1 (0.68) AKT1AKT2KCNH2
SCHEMBL1501703 0.78 AKT1 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910561-B2 Cancer; such as 3-phenyl-2-(4-{[4-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)piperidin-1-yl]methyl}phenyl)-1,6-naphthyridin-5(6H)-one; serine/threonine kinase (Akt) suppression; increased cellular potency or solubility, greater selectivity, enhanced pharmacokinetic properties, lack of off target activity MERCK SHARP & DOHME CORP. (US) 2011-03-22 US disclosed
US-20080287457-A1 Inhibitors of Akt Activity MERCK SHARP & DOHME CORP. 2008-11-20 US 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 (1 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-20080287457-A1 Inhibitors of Akt Activity AKT3, MTOR, STK3 AKT1 11/4885AKT2 7/4885KCNH2 4376/4885

“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.