SCHEMBL12376038

SCHEMBL12376038

[C-]#[N+]Cc1nnc2c3cc(-c4ccccc4)c(-c4ccc(CN)cc4)nc3ccn12

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 15/20 0.45
AKT2 P31751 12/20 0.45
KCNH2 Q12809 4/20 0.45
AKT3 Q9Y243 2/20 0.41
FECH P22830 1/20 0.41
MERTK Q12866 1/20 0.33
SGK1 O00141 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
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
SCHEMBL2283148 0.90 AKT1 (0.48) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2283718 0.88 AKT1 (0.47) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2281218 0.87 AKT1 (0.46) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2281623 0.86 AKT1 (0.46) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2283359 0.85 AKT1 (0.45) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2281090 0.84 AKT1 (0.46) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2286684 0.84 AKT1 (0.45) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2281807 0.84 AKT1 (0.45) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2287754 0.84 AKT1 (0.45) AKT1AKT2KCNH2AKT3FECH
SCHEMBL2286258 0.83 AKT1 (0.46) AKT1AKT2KCNH2AKT3FECH

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-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

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.