SCHEMBL4915423

SCHEMBL4915423

CNC(=O)c1cc(-c2ccc3c(N4CCOCC4)nc(N4CCOCC4C)nc3n2)ccc1OC

nearest known ligand 0.90

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.90
KCNH2 Q12809 2/20 0.75
PIK3CD O00329 1/20 0.64
PIK3R1 P27986 1/20 0.64
PIK3CA P42336 1/20 0.64
PIK3CB P42338 1/20 0.64
PIK3CG P48736 1/20 0.64
PFKP Q01813 1/20 0.64
RPTOR Q8N122 1/20 0.64
PIK3C3 Q8NEB9 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
SCHEMBL2907120 1.00 MTOR (0.90) MTORKCNH2PIK3CDPIK3R1PIK3CA
SCHEMBL393728 0.95 MTOR (1.00) MTORKCNH2
SCHEMBL393727 0.95 MTOR (1.00) MTORKCNH2
SCHEMBL289661 0.94 MTOR (1.00) MTORKCNH2PIK3CDPIK3R1PIK3CA
SCHEMBL1219660 0.94 MTOR (1.00) MTORKCNH2PIK3CDPIK3R1PIK3CA
SCHEMBL4914502 0.91 MTOR (0.89) MTOR
SCHEMBL4914459 0.91 MTOR (0.89) MTOR
SCHEMBL393876 0.88 MTOR (1.00) MTORKCNH2PIK3CDPIK3R1PIK3CA
SCHEMBL393875 0.88 MTOR (1.00) MTORKCNH2PIK3CDPIK3R1PIK3CA
SCHEMBL22449750 0.87 MTOR (0.83) MTORKCNH2PIK3CDPIK3R1PIK3CA

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-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-08-14 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-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A MTOR 24/4885KCNH2 4538/4885PIK3CD 814/4885

“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.