SCHEMBL311278

SCHEMBL311278

Cn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 20/20 0.59
AKT1 P31749 12/20 0.59
AKT2 P31751 6/20 0.59
AKT3 Q9Y243 6/20 0.59
KCNH2 Q12809 3/20 0.59
CYP2B6 P20813 1/20 0.54

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
SCHEMBL11904048 0.89 RPS6KB1 (0.61) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL11904481 0.89 RPS6KB1 (0.60) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL2063100 0.87 RPS6KB1 (0.64) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL11904778 0.86 RPS6KB1 (0.62) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL11904621 0.86 RPS6KB1 (0.63) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL11904398 0.86 RPS6KB1 (0.65) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL15732488 0.85 P2RY14 (0.51) RPS6KB1
SCHEMBL11904557 0.85 RPS6KB1 (0.49) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL11904650 0.85 RPS6KB1 (0.49) RPS6KB1AKT1AKT2AKT3KCNH2
SCHEMBL2063365 0.85 RPS6KB1 (0.48) RPS6KB1AKT1AKT2AKT3KCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2148880-B1 P70 S6 KINASE INHIBITORS LILLY CO ELI (US) 2014-05-28 EP disclosed
US-8334293-B2 P70 S6 kinase inhibitor and EGFR inhibitor combination therapy ELI LILLY AND COMPANY (US) 2012-12-18 US disclosed
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 US disclosed
US-8093383-B2 P70 S6 kinase inhibitors ELI LILLY AND COMPANY (US) 2012-01-10 US disclosed
US-20110212977-A1 P70 S6 KINASE INHIBITOR AND MTOR INHIBITOR COMBINATION THERAPY ELI LILLY AND COMPANY (US) 2011-09-01 US disclosed
US-20110207752-A1 P70 S6 KINASE INHIBITOR AND EGFR INHIBITOR COMBINATION THERAPY ELI LILLY AND COMPANY (US) 2011-08-25 US disclosed
EP-2355821-A1 P70 S6 KINASE INHIBITOR AND EGFR INHIBITOR COMBINATION THERAPY Eli Lilly and Company (US) 2011-08-17 EP disclosed
EP-2355820-A1 P70 S6 KINASE INHIBITOR AND MTOR INHIBITOR COMBINATION THERAPY Eli Lilly and Company (US) 2011-08-17 EP disclosed
WO-2010056574-A1 P70 S6 KINASE INHIBITOR AND MTOR INHIBITOR COMBINATION THERAPY ELI LILLY AND COMPANY (US) 2010-05-20 WO disclosed
WO-2010056575-A1 P70 S6 KINASE INHIBITOR AND EGFR INHIBITOR COMBINATION THERAPY ELI LILLY AND COMPANY (US) 2010-05-20 WO disclosed
EP-2148880-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2010-02-03 EP disclosed
US-20090163714-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY 2009-06-25 US disclosed
WO-2008140947-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2008-11-20 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 (4 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-20110212977-A1 P70 S6 KINASE INHIBITOR AND MTOR INHIBITOR COMBINATION THERAPY MTOR, RPS6KA1, RPS6KA4 RPS6KB1 8/4885AKT1 29/4885AKT2 96/4885
US-20090163714-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 RPS6KB1 6/4885AKT1 113/4885AKT2 80/4885
US-20110207752-A1 P70 S6 KINASE INHIBITOR AND EGFR INHIBITOR COMBINATION THERAPY RPS6KA1, RPS6KA3, RPS6KA4 RPS6KB1 6/4885AKT1 62/4885AKT2 227/4885
US-20120071490-A1 P70 S6 KINASE INHIBITORS RPS6KA6, RPS6KA1, RPS6KA2 RPS6KB1 6/4885AKT1 113/4885AKT2 80/4885

“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.