SCHEMBL2278879

SCHEMBL2278879

NNc1nccc2nc(-c3ccc(CN4CCC(c5nnc[nH]5)CC4)cc3)c(-c3ccccc3)cc12

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 19/20 0.53
AKT2 P31751 18/20 0.53
KCNH2 Q12809 8/20 0.51

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
SCHEMBL2285074 0.89 AKT1 (0.56) AKT1AKT2KCNH2
SCHEMBL2284253 0.85 AKT1 (0.55) AKT1AKT2KCNH2
SCHEMBL2277058 0.84 AKT1 (0.58) AKT1AKT2KCNH2
SCHEMBL2282823 0.83 AKT1 (0.57) AKT1AKT2KCNH2
SCHEMBL2287792 0.80 AKT1 (0.70) AKT1AKT2KCNH2
SCHEMBL2281065 0.79 AKT1 (0.56) AKT1AKT2KCNH2
SCHEMBL2279032 0.79 AKT1 (0.58) AKT1AKT2KCNH2
SCHEMBL2280058 0.79 AKT1 (0.70) AKT1AKT2KCNH2
SCHEMBL2283725 0.76 AKT1 (0.57) AKT1AKT2KCNH2
SCHEMBL14796804 0.76 AKT1 (0.44) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101374515-B Inhibitors of akt activity MERCK SHARP & DOHME 2013-01-09 CN disclosed
US-8008317-B2 Inhibitors of akt activtiy MERCK SHARP & DOHME CORP. (US) 2011-08-30 US disclosed
US-8008317-B2 Inhibitors of akt activtiy MERCK SHARP & DOHME CORP. (US) 2011-08-30 US disclosed
US-8008317-B2 Inhibitors of akt activtiy MERCK SHARP & DOHME CORP. (US) 2011-08-30 US disclosed
US-20100222321-A1 Inhibitors of akt activtiy MERCK SHARP & DOHME LLC 2010-09-02 US disclosed
US-20100222321-A1 Inhibitors of akt activtiy MERCK SHARP & DOHME LLC 2010-09-02 US disclosed
US-20100222321-A1 Inhibitors of akt activtiy MERCK SHARP & DOHME LLC 2010-09-02 US disclosed
CN-101374515-A Inhibitors of AKT activity MERCK & CO INC (US) 2009-02-25 CN disclosed
EP-1898903-A2 INHIBITORS OF AKT ACTIVITY Merck & Co., Inc. (US) 2008-03-19 EP disclosed
WO-2006135627-A2 INHIBITORS OF AKT ACTIVITY MERCK & CO., INC. (US) 2006-12-21 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 (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-20100222321-A1 Inhibitors of akt activtiy PIK3CA, PIK3CD, INPP5D AKT1 8/4885AKT2 4/4885KCNH2 3672/4885

“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.