SCHEMBL867705

SCHEMBL867705

CC(C)(C)OC(=O)NC1(c2ccc(-c3nc4nc(C(=O)O)nn4cc3-c3ccccc3)cc2)CCC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 18/20 0.49
AKT2 P31751 2/20 0.49
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
TACR3 P29371 1/20 0.36

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
SCHEMBL16481138 0.93 AKT1 (0.50) AKT1AKT2CNR1CNR2
SCHEMBL867849 0.93 AKT1 (0.48) AKT1AKT2CNR1CNR2TACR3
SCHEMBL370716 0.91 AKT1 (0.51) AKT1AKT2CNR1CNR2
SCHEMBL867621 0.91 AKT1 (0.50) AKT1AKT2CNR1CNR2TACR3
SCHEMBL362980 0.90 AKT1 (0.53) AKT1AKT2CNR1CNR2TACR3
SCHEMBL868443 0.90 AKT1 (0.49) AKT1AKT2CNR1CNR2
SCHEMBL360773 0.90 AKT1 (0.49) AKT1AKT2CNR1CNR2
SCHEMBL539000 0.89 AKT1 (0.49) AKT1AKT2CNR1CNR2TACR3
SCHEMBL361408 0.89 AKT1 (0.49) AKT1AKT2CNR1CNR2TACR3
SCHEMBL361275 0.88 AKT1 (0.46) AKT1AKT2CNR1CNR2

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-8691825-B2 Inhibitors of AKT activity MERCK SHARP & DOHME CORP. (US) 2014-04-08 US disclosed
US-20120077810-A1 Inhibitors Of AKT Activity MERCK SHARP & DOHME LLC 2012-03-29 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-20120077810-A1 Inhibitors Of AKT Activity PIK3CA, PIK3CD, PIK3CB AKT1 11/4885AKT2 7/4885CNR1 4441/4885

“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.