SCHEMBL2063570

SCHEMBL2063570

CC(N(C)C)n1cc(-c2ccc(F)c(F)c2)nc1C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
APP P05067 3/20 0.39
P2RY14 Q15391 1/20 0.39
RPS6KB1 P23443 11/20 0.38
AKT1 P31749 10/20 0.38
TLR9 Q9NR96 1/20 0.36
TLR8 Q9NR97 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
SYK P43405 2/20 0.35
RPS6KA3 P51812 1/20 0.35
SOS1 Q07889 1/20 0.34

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
Hydrochloric Acid SCHEMBL2062816 0.99 APP (0.39) APPP2RY14RPS6KB1AKT1TLR9
SCHEMBL4239895 0.89 P2RY14 (0.41) APPP2RY14RPS6KB1AKT1TLR9
Hydrochloric Acid SCHEMBL311632 0.88 P2RY14 (0.41) APPP2RY14RPS6KB1AKT1TLR9
SCHEMBL14782372 0.80 RPS6KB1 (0.50) APPP2RY14RPS6KB1AKT1RPS6KA3
SCHEMBL27796918 0.79 SOS1 (0.45) RPS6KB1AKT1SOS1
Hydrochloric Acid SCHEMBL15732670 0.78 SOS1 (0.45) RPS6KB1AKT1SOS1
SCHEMBL15720535 0.77 RPS6KB1 (0.52) RPS6KB1AKT1
Hydrochloric Acid SCHEMBL11904761 0.77 RPS6KB1 (0.51) RPS6KB1AKT1
SCHEMBL16987135 0.76 AKT1 (0.47) RPS6KB1AKT1SOS1
Hydrochloric Acid SCHEMBL11904264 0.73 RPS6KB1 (0.44) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 APP 3548/4885P2RY14 2781/4885RPS6KB1 7/4885

“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.