SCHEMBL2906101

SCHEMBL2906101

FC(F)(F)c1cccc(-c2nc(N3CCOCC3)c3ccc(-c4ccc(Cl)cc4)nc3n2)c1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.54
GAA P10253 1/20 0.54
MTOR P42345 10/20 0.52
CNR2 P34972 1/20 0.48
PIK3CA P42336 5/20 0.48
PIK3CD O00329 2/20 0.47
PIK3CG P48736 2/20 0.47
AR P10275 1/20 0.47
ADK P55263 1/20 0.43
RAF1 P04049 1/20 0.42
BRAF P15056 1/20 0.42
GLA P06280 1/20 0.41
ATM Q13315 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNH2 Q12809 1/20 0.41

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
SCHEMBL2899990 0.86 MTOR (0.52) NPSR1GAAMTORPIK3CAPIK3CD
SCHEMBL2906004 0.85 MTOR (0.54) MTORPIK3CAPIK3CDPIK3CGADK
SCHEMBL2906122 0.83 MTOR (0.52) GAAMTORPIK3CAPIK3CDPIK3CG
SCHEMBL2906137 0.83 MTOR (0.55) MTORPIK3CAPIK3CDPIK3CGL3MBTL1
SCHEMBL2902888 0.83 MTOR (0.67) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL2903052 0.83 PIK3CA (0.58) MTORPIK3CAPIK3CDPIK3CGADK
SCHEMBL2907994 0.82 MTOR (0.54) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL2906100 0.81 ALDH1A1 (0.63) GAAMTORPIK3CAPIK3CDPIK3CG
SCHEMBL2901048 0.81 MTOR (0.56) MTORPIK3CAPIK3CDPIK3CGKCNH2
SCHEMBL2903734 0.81 MTOR (0.79) MTORPIK3CAPIK3CDKCNH2

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 NPSR1 4725/4885GAA 1659/4885MTOR 1/4885
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A NPSR1 589/4885GAA 4635/4885MTOR 24/4885

“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.