SCHEMBL2906129

SCHEMBL2906129

COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4CC(C)OC(C)C4)nc3n2)cc1CNc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.67
MTOR P42345 17/20 0.67
PIK3CD O00329 1/20 0.67
PIK3CA P42336 1/20 0.67
RICTOR Q6R327 1/20 0.67
RPTOR Q8N122 1/20 0.67
MAPKAP1 Q9BPZ7 1/20 0.67
MLST8 Q9BVC4 1/20 0.67

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
SCHEMBL14089083 1.00 KCNH2 (0.67) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL2907703 0.89 MTOR (0.76) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL14089079 0.89 MTOR (0.76) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL14089089 0.89 KCNH2 (0.68) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL2905698 0.89 KCNH2 (0.68) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL2907747 0.86 KCNH2 (0.65) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL2900826 0.85 MTOR (0.83) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL14089019 0.85 MTOR (0.83) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL14089086 0.84 KCNH2 (0.80) KCNH2MTORPIK3CDPIK3CARICTOR
SCHEMBL2906051 0.84 KCNH2 (0.80) KCNH2MTORPIK3CDPIK3CARICTOR

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 KCNH2 4409/4885MTOR 1/4885PIK3CD 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.