SCHEMBL1674497

SCHEMBL1674497

Cn1cnc(-c2nnc3c4cc(-c5ccccc5)c(-c5ccc(C6(N(C(=O)O)C(C)(C)C)CC7(C6)OCCO7)cc5)nc4ccn23)c1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 16/20 0.37
AKT2 P31751 9/20 0.37
AKT3 Q9Y243 2/20 0.37
FECH P22830 1/20 0.37
KCNH2 Q12809 3/20 0.34

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
SCHEMBL2027997 0.90 AKT1 (0.41) AKT1AKT2AKT3FECHKCNH2
SCHEMBL2028406 0.90 AKT1 (0.43) AKT1AKT2AKT3FECHKCNH2
SCHEMBL9947605 0.85 AKT1 (0.39) AKT1AKT2AKT3FECHKCNH2
SCHEMBL2030075 0.85 AKT1 (0.37) AKT1AKT2AKT3FECHKCNH2
SCHEMBL1674693 0.84 AKT1 (0.46) AKT1AKT2AKT3FECHKCNH2
SCHEMBL3614614 0.84 AKT1 (0.37) AKT1AKT2AKT3FECHKCNH2
SCHEMBL10226590 0.83 AKT1 (0.37) AKT1AKT2AKT3FECHKCNH2
SCHEMBL3623778 0.81 AKT1 (0.42) AKT1AKT2AKT3FECHKCNH2
SCHEMBL2028502 0.79 AKT1 (0.45) AKT1AKT2AKT3FECHKCNH2
SCHEMBL4295111 0.78 AKT1 (0.46) AKT1AKT2AKT3FECHKCNH2

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-20110092511-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME LLC 2011-04-21 US disclosed
US-20100022573-A1 INHIBITORS OF AKT ACTIVITY MERCK SHARP & DOHME CORP. 2010-01-28 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 (2 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-20110092511-A1 INHIBITORS OF AKT ACTIVITY AKT1S1, AKT1, PIK3CA AKT1 2/4885AKT2 5/4885AKT3 8/4885
US-20100022573-A1 INHIBITORS OF AKT ACTIVITY PIK3CD, PIK3CA, PIK3CG AKT1 12/4885AKT2 4/4885AKT3 8/4885

“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.