SCHEMBL14239586

SCHEMBL14239586

COc1ccc(-c2ccc3c(N4CCOCC4)nc(N4CCO[C@@H](C)C4)nc3n2)cc1CO

nearest known ligand 0.86

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTOR P42345 19/20 0.86
KCNH2 Q12809 4/20 0.86
PIK3CA P42336 4/20 0.86
RICTOR Q6R327 2/20 0.86
RPTOR Q8N122 2/20 0.86
MAPKAP1 Q9BPZ7 2/20 0.86
MLST8 Q9BVC4 2/20 0.86
PIK3CD O00329 1/20 0.86
FECH P22830 1/20 0.66
PIK3R1 P27986 1/20 0.66

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
Ku-0063794 SCHEMBL290208 0.93 MTOR (1.00) MTORKCNH2PIK3CARICTORRPTOR
Ku-0063794 SCHEMBL29454796 0.93 MTOR (1.00) MTORKCNH2PIK3CARICTORRPTOR
Ku-0063794 SCHEMBL290211 0.93 MTOR (1.00) MTORKCNH2PIK3CARICTORRPTOR
Ku-0063794 SCHEMBL29350060 0.93 MTOR (1.00) MTORKCNH2PIK3CARICTORRPTOR
SCHEMBL2926233 0.91 MTOR (0.94) MTORKCNH2PIK3CARICTORRPTOR
SCHEMBL10287646 0.91 MTOR (0.86) MTORKCNH2PIK3CARICTORRPTOR
SCHEMBL22787101 0.91 MTOR (0.84) MTORKCNH2PIK3CARICTORRPTOR
SCHEMBL18434385 0.89 MTOR (0.69) MTORKCNH2PIK3CARICTORRPTOR
SCHEMBL22030453 0.86 MTOR (0.89) MTORKCNH2PIK3CARICTORRPTOR
SCHEMBL2908254 0.86 MTOR (0.89) MTORKCNH2PIK3CARICTORRPTOR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120316137-A1 Methods and Compositions for Treating Cancer ARIAD PHARMACEUTICALS, INC. (US) 2012-12-13 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-20120316137-A1 Methods and Compositions for Treating Cancer H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TP53, MKI67 MTOR 1596/4885KCNH2 3538/4885PIK3CA 182/4885

“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.