SCHEMBL2900327

SCHEMBL2900327

COc1ccc(-c2ccc3c(N4CCOCC4)nc(-c4cc(N)cc(C(=O)O)c4)nc3n2)cc1CO

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTOR P42345 20/20 0.71
PIK3CA P42336 3/20 0.71
PIK3CD O00329 1/20 0.62
KCNH2 Q12809 1/20 0.62
RICTOR Q6R327 1/20 0.62
RPTOR Q8N122 1/20 0.62
MAPKAP1 Q9BPZ7 1/20 0.62
MLST8 Q9BVC4 1/20 0.62

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
SCHEMBL2906106 0.89 MTOR (0.78) MTORPIK3CAPIK3CDKCNH2RICTOR
SCHEMBL4162874 0.89 MTOR (0.71) MTORPIK3CAPIK3CDKCNH2RICTOR
SCHEMBL2900261 0.88 MTOR (0.81) MTORPIK3CAPIK3CDKCNH2RICTOR
SCHEMBL2905771 0.86 MTOR (0.78) MTORPIK3CAPIK3CDKCNH2RICTOR
SCHEMBL8216882 0.85 MTOR (0.80) MTORPIK3CAPIK3CDKCNH2RICTOR
SCHEMBL2908638 0.85 MTOR (0.78) MTORPIK3CAPIK3CDKCNH2RICTOR
SCHEMBL14684441 0.83 MTOR (1.00) MTORPIK3CAPIK3CDKCNH2RICTOR
SCHEMBL2902880 0.83 MTOR (0.69) MTORPIK3CAPIK3CDKCNH2RICTOR
SCHEMBL2907360 0.83 MTOR (0.78) MTORPIK3CAPIK3CDKCNH2RICTOR
SCHEMBL2905755 0.83 MTOR (0.78) MTORPIK3CAPIK3CDKCNH2RICTOR

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 5 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

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 1/4885PIK3CA 9/4885PIK3CD 34/4885
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A MTOR 24/4885PIK3CA 729/4885PIK3CD 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.