SCHEMBL2906480

SCHEMBL2906480

CC1CN(c2nc(N3CCOCC3)c3ccc(-c4ccncc4)nc3n2)CC(C)O1

nearest known ligand 0.77

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 17/20 0.77
KCNH2 Q12809 5/20 0.66
PIK3CD O00329 1/20 0.64
PIK3CA P42336 1/20 0.64
RICTOR Q6R327 1/20 0.64
RPTOR Q8N122 1/20 0.64
MAPKAP1 Q9BPZ7 1/20 0.64
MLST8 Q9BVC4 1/20 0.64

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
SCHEMBL2907372 0.91 MTOR (0.77) MTORKCNH2PIK3CDPIK3CARICTOR
SCHEMBL2901168 0.91 MTOR (0.77) MTORKCNH2PIK3CDPIK3CARICTOR
SCHEMBL2903575 0.90 MTOR (0.66) MTORKCNH2PIK3CDPIK3CARICTOR
SCHEMBL2908680 0.89 MTOR (0.78) MTORKCNH2PIK3CDPIK3CARICTOR
SCHEMBL2907618 0.89 KCNH2 (0.65) MTORKCNH2PIK3CDPIK3CARICTOR
SCHEMBL2907383 0.89 MTOR (0.78) MTORKCNH2PIK3CDPIK3CARICTOR
SCHEMBL2907878 0.88 KCNH2 (0.67) MTORKCNH2PIK3CDPIK3CARICTOR
SCHEMBL2906136 0.87 MTOR (1.00) MTORKCNH2
SCHEMBL2905700 0.87 MTOR (0.78) MTORKCNH2PIK3CDPIK3CARICTOR
SCHEMBL2905736 0.87 MTOR (0.78) MTORKCNH2PIK3CDPIK3CARICTOR

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 4409/4885PIK3CD 34/4885

“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.