SCHEMBL786550

SCHEMBL786550

Cn1cc(-c2cccc(C(F)(F)F)c2)nc1C1CCN(C(=O)O)C(C(C)(C)C)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 14/20 0.43
AKT1 P31749 7/20 0.43
AKT2 P31751 1/20 0.41
KCNH2 Q12809 1/20 0.41
AKT3 Q9Y243 1/20 0.41
CNR2 P34972 1/20 0.38
MCHR1 Q99705 1/20 0.38
KMO O15229 1/20 0.38
UCHL1 P09936 1/20 0.38
SCN9A Q15858 1/20 0.38
KDM1A O60341 1/20 0.37

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
SCHEMBL15732487 0.89 RPS6KB1 (0.42) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL311144 0.86 RPS6KB1 (0.47) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL4451812 0.78 FFAR4 (0.41) KCNH2KMOSCN9A
SCHEMBL312365 0.78 GPR119 (0.45) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL23705962 0.76 SIGMAR1 (0.42)
Hydrochloric Acid SCHEMBL310743 0.73 MEN1 (0.57) RPS6KB1AKT1
SCHEMBL3804657 0.73 BTK (0.37) KCNH2MCHR1KDM1A
SCHEMBL4466566 0.73 KMO (0.38) KMO
SCHEMBL311776 0.73 TLR8 (0.45) RPS6KB1AKT1AKT2KCNH2AKT3
SCHEMBL4456610 0.72 FFAR4 (0.40) KCNH2SCN9A

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
EP-2148880-B1 P70 S6 KINASE INHIBITORS LILLY CO ELI (US) 2014-05-28 EP disclosed
US-20120071490-A1 P70 S6 KINASE INHIBITORS ELI LILLY AND COMPANY (US) 2012-03-22 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-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.