SCHEMBL2900826

SCHEMBL2900826

CNCc1cc(-c2ccc3c(N4CCOCC4)nc(N4CC(C)OC(C)C4)nc3n2)ccc1OC

nearest known ligand 0.83

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.83
KCNH2 Q12809 4/20 0.83
PIK3CA P42336 2/20 0.83
PIK3CD O00329 1/20 0.83
RICTOR Q6R327 1/20 0.83
RPTOR Q8N122 1/20 0.83
MAPKAP1 Q9BPZ7 1/20 0.83
MLST8 Q9BVC4 1/20 0.83

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
SCHEMBL14089019 1.00 MTOR (0.83) MTORKCNH2PIK3CAPIK3CDRICTOR
SCHEMBL2903292 0.92 MTOR (0.79) MTORKCNH2PIK3CAPIK3CDRICTOR
SCHEMBL14089038 0.92 MTOR (0.79) MTORKCNH2PIK3CAPIK3CDRICTOR
SCHEMBL14089015 0.92 MTOR (0.79) MTORKCNH2PIK3CAPIK3CDRICTOR
SCHEMBL2900854 0.92 MTOR (0.79) MTORKCNH2PIK3CAPIK3CDRICTOR
SCHEMBL10092312 0.92 MTOR (0.86) MTORKCNH2PIK3CAPIK3CDRICTOR
SCHEMBL2907325 0.91 MTOR (0.78) MTORKCNH2PIK3CAPIK3CDRICTOR
SCHEMBL14089024 0.91 MTOR (0.78) MTORKCNH2PIK3CAPIK3CDRICTOR
SCHEMBL4748699 0.91 MTOR (0.85) MTORKCNH2PIK3CAPIK3CDRICTOR
Ku-0063794 SCHEMBL290208 0.91 MTOR (1.00) MTORKCNH2PIK3CAPIK3CDRICTOR

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-2217234-A2 COMBINATIONS OF MEK INHIBITORS WITH MTOR INHIBITORS AstraZeneca AB (SE) 2010-08-18 EP disclosed
WO-2009050506-A2 COMBINATION 059 ASTRAZENECA AB (SE) 2009-04-23 WO disclosed
US-20090099174-A1 COMBINATION 059 ASTRAZENECA AB (SE) 2009-04-16 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-20090099174-A1 COMBINATION 059 MTOR, RICTOR, MAPK9 MTOR 1/4885KCNH2 4409/4885PIK3CA 9/4885

“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.