SCHEMBL9894529

SCHEMBL9894529

CC1CC(=O)Nc2ncnc(N3CCC(c4nc(C(F)(F)F)cn4CCN4CCC4)CC3)c21

nearest known ligand 0.97

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 20/20 0.97
RPS6KB1 P23443 18/20 0.97
RPS6KA1 Q15418 5/20 0.97
PRKCB P05771 4/20 0.97
AKT2 P31751 1/20 0.46
KCNH2 Q12809 1/20 0.46
AKT3 Q9Y243 1/20 0.46

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
SCHEMBL9894527 1.00 AKT1 (0.97) AKT1RPS6KB1RPS6KA1PRKCBAKT2
SCHEMBL1665080 0.98 AKT1 (1.00) AKT1RPS6KB1RPS6KA1PRKCB
SCHEMBL1662362 0.98 AKT1 (1.00) AKT1RPS6KB1RPS6KA1PRKCB
Hydrochloric Acid SCHEMBL16457014 0.98 AKT1 (0.98) AKT1RPS6KB1RPS6KA1PRKCB
Hydrochloric Acid SCHEMBL16457015 0.98 AKT1 (0.98) AKT1RPS6KB1RPS6KA1PRKCB
SCHEMBL9895319 0.91 AKT1 (0.86) AKT1RPS6KB1RPS6KA1PRKCB
SCHEMBL9895314 0.91 AKT1 (0.86) AKT1RPS6KB1RPS6KA1PRKCB
SCHEMBL16457699 0.90 AKT1 (0.82) AKT1RPS6KB1RPS6KA1PRKCBAKT2
SCHEMBL16457701 0.90 AKT1 (0.82) AKT1RPS6KB1RPS6KA1PRKCBAKT2
SCHEMBL9894401 0.90 AKT1 (0.83) AKT1RPS6KB1RPS6KA1PRKCBAKT2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2491032-B1 AKT INHIBITORS LILLY CO ELI (US) 2014-04-16 EP disclosed
US-8436002-B2 AKT inhibitors ELI LILLY AND COMPANY (US) 2013-05-07 US disclosed
US-20120149684-A1 AKT INHIBITORS ELI LILLY AND COMPANY (US) 2012-06-14 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-20120149684-A1 AKT INHIBITORS AKT2, PIK3CA, AKT3 AKT1 4/4885RPS6KB1 41/4885RPS6KA1 47/4885

“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.