SCHEMBL12376025

SCHEMBL12376025

Cc1[nH]ncc1-c1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN)cc4)nc3ccn12

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 15/20 0.48
AKT1 P31749 13/20 0.44
KCNH2 Q12809 4/20 0.44
AKT3 Q9Y243 2/20 0.42
FECH P22830 1/20 0.42
MERTK Q12866 1/20 0.35
SGK1 O00141 1/20 0.35
CDC7 O00311 1/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
ROCK1 Q13464 1/20 0.34
DBF4 Q9UBU7 1/20 0.34
METAP2 P50579 1/20 0.34
BRAF P15056 1/20 0.32

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
SCHEMBL2286258 0.86 AKT1 (0.46) AKT2AKT1KCNH2AKT3FECH
SCHEMBL2286818 0.85 AKT1 (0.48) AKT2AKT1KCNH2AKT3FECH
SCHEMBL2281534 0.84 AKT1 (0.42) AKT2AKT1KCNH2AKT3FECH
SCHEMBL2279628 0.84 AKT1 (0.46) AKT2AKT1KCNH2AKT3FECH
SCHEMBL2281559 0.84 AKT1 (0.44) AKT2AKT1KCNH2AKT3FECH
SCHEMBL2283320 0.83 AKT1 (0.53) AKT2AKT1KCNH2AKT3FECH
SCHEMBL2279972 0.83 AKT1 (0.41) AKT2AKT1KCNH2AKT3FECH
SCHEMBL2282352 0.83 AKT1 (0.44) AKT2AKT1KCNH2AKT3FECH
Hydrochloric Acid SCHEMBL3504287 0.83 AKT1 (0.53) AKT2AKT1KCNH2AKT3FECH
SCHEMBL2282809 0.82 AKT1 (0.44) AKT2AKT1KCNH2AKT3FECH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1898903-B1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME (US) 2013-03-27 EP 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

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 AKT2 4/4885AKT1 8/4885KCNH2 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.