SCHEMBL9894414

SCHEMBL9894414

CC(C)Cc1cn(CCN2CCCC2)c(C2CCN(C(=O)O)CC2)n1

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 17/20 0.39
AKT1 P31749 17/20 0.39
HRH3 Q9Y5N1 3/20 0.39
PRKCB P05771 2/20 0.38
RPS6KA1 Q15418 2/20 0.38

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
SCHEMBL9894301 0.87 RPS6KB1 (0.43) RPS6KB1AKT1HRH3PRKCBRPS6KA1
SCHEMBL9894161 0.86 TP53 (0.42) RPS6KB1AKT1PRKCBRPS6KA1
SCHEMBL9894348 0.84 RPS6KB1 (0.40) RPS6KB1AKT1HRH3PRKCBRPS6KA1
SCHEMBL1662710 0.82 RPS6KB1 (0.41) RPS6KB1AKT1HRH3
SCHEMBL27962313 0.82 RPS6KB1 (0.37) RPS6KB1AKT1PRKCBRPS6KA1
SCHEMBL27962323 0.81 RPS6KB1 (0.40) RPS6KB1AKT1PRKCBRPS6KA1
SCHEMBL9893953 0.81 RPS6KB1 (0.41) RPS6KB1AKT1
Hydrochloric Acid SCHEMBL1664781 0.81 RPS6KB1 (0.39) RPS6KB1AKT1PRKCBRPS6KA1
SCHEMBL1662406 0.81 RPS6KB1 (0.53) RPS6KB1AKT1PRKCBRPS6KA1
SCHEMBL14782550 0.79 RPS6KB1 (0.43) RPS6KB1AKT1

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 4 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
WO-2011050016-A1 AKT INHIBITORS ELI LILLY AND COMPANY (US) 2011-04-28 WO 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 RPS6KB1 41/4885AKT1 4/4885HRH3 3628/4885

“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.