SCHEMBL2908284

SCHEMBL2908284

C[C@H]1COCCN1c1nc(N2CCOCC2)c2ccc(-c3cccc(NS(C)(=O)=O)c3)nc2n1

nearest known ligand 0.89

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MTOR P42345 18/20 0.89
AKT1 P31749 2/20 0.74
PIK3CD O00329 1/20 0.61
PIK3R1 P27986 1/20 0.61
PIK3CA P42336 1/20 0.61
PIK3CB P42338 1/20 0.61
PIK3CG P48736 1/20 0.61
PFKP Q01813 1/20 0.61
KCNH2 Q12809 1/20 0.61
RPTOR Q8N122 1/20 0.61
PIK3C3 Q8NEB9 1/20 0.61
MLST8 Q9BVC4 1/20 0.61

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
SCHEMBL4914905 1.00 MTOR (0.89) MTORAKT1PIK3CDPIK3R1PIK3CA
SCHEMBL2909940 0.94 MTOR (1.00) MTORAKT1PIK3CDPIK3R1PIK3CA
SCHEMBL290661 0.94 MTOR (1.00) MTORAKT1PIK3CDPIK3R1PIK3CA
SCHEMBL1218929 0.94 MTOR (1.00) MTORAKT1PIK3CDPIK3R1PIK3CA
SCHEMBL14089096 0.90 MTOR (0.88) MTOR
SCHEMBL4165285 0.85 AKT1 (1.00) MTORAKT1PIK3CDPIK3R1PIK3CA
SCHEMBL2907049 0.83 MTOR (1.00) MTOR
SCHEMBL2900851 0.83 MTOR (1.00) MTORAKT1PIK3CDPIK3R1PIK3CA
SCHEMBL22030452 0.82 MTOR (0.89) MTORPIK3CDPIK3R1PIK3CAPIK3CB
SCHEMBL22858573 0.82 MTOR (0.89) MTORPIK3CDPIK3R1PIK3CAPIK3CB

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 6 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
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-08-14 US disclosed
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2008-08-14 US disclosed
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 (2 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 1/4885AKT1 33/4885PIK3CD 34/4885
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A MTOR 24/4885AKT1 782/4885PIK3CD 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.