SCHEMBL2062977

SCHEMBL2062977

CN(C)CCn1cc(-c2ccc(F)c(Cl)c2)nc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 19/20 0.51
AKT1 P31749 19/20 0.51
AKT2 P31751 5/20 0.51
KCNH2 Q12809 5/20 0.51
AKT3 Q9Y243 5/20 0.51
RPS6KA1 Q15418 1/20 0.47

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
SCHEMBL11904320 0.93 RPS6KB1 (0.53) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL2063706 0.92 RPS6KB1 (0.53) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL2063679 0.92 RPS6KB1 (0.51) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL2063243 0.92 RPS6KB1 (0.49) RPS6KB1AKT1
SCHEMBL2063124 0.90 RPS6KB1 (0.55) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL2062915 0.90 RPS6KB1 (0.46) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL2063633 0.89 RPS6KB1 (0.51) RPS6KB1AKT1
SCHEMBL2063100 0.89 RPS6KB1 (0.64) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL11904260 0.89 RPS6KB1 (0.60) RPS6KB1AKT1
SCHEMBL2063608 0.89 RPS6KB1 (0.44) RPS6KB1AKT1AKT2KCNH2AKT3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102216302-B Akt and p70 s6 kinase inhibitors LILLY CO ELI 2013-08-21 CN disclosed
EP-2358710-B1 AKT AND P70 S6 KINASE INHIBITORS LILLY CO ELI (US) 2012-08-15 EP disclosed
US-8148387-B2 AKT and P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-04-03 US disclosed
CN-102216302-A Akt and p70 s6 kinase inhibitors LILLY CO ELI 2011-10-12 CN disclosed
US-20100120801-A1 AKT AND P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2010-05-13 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-20100120801-A1 AKT AND P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, MTOR RPS6KB1 7/4885AKT1 17/4885AKT2 13/4885

“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.