SCHEMBL2906100

SCHEMBL2906100

O=[N+]([O-])c1cccc(-c2nc(N3CCOCC3)c3ccc(-c4ccc(Cl)cc4)nc3n2)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
KMT2A Q03164 3/20 0.63
MEN1 O00255 2/20 0.63
MAPK1 P28482 1/20 0.63
MTOR P42345 9/20 0.53
PIK3CA P42336 3/20 0.46
PIK3CD O00329 2/20 0.46
PIK3CG P48736 1/20 0.46
ABCG2 Q9UNQ0 1/20 0.45
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 2/20 0.42
KDM4E B2RXH2 1/20 0.42
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ADK P55263 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
GBA1 P04062 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 0.85 MTOR (0.52) ALDH1A1KMT2AMEN1MAPK1MTOR
SCHEMBL2906004 0.84 MTOR (0.54) KMT2AMEN1MTORPIK3CAPIK3CD
SCHEMBL2906122 0.83 MTOR (0.52) ALDH1A1KMT2AMEN1MAPK1MTOR
SCHEMBL2907994 0.83 MTOR (0.54) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL2906101 0.81 NPSR1 (0.54) MTORPIK3CAPIK3CDPIK3CGGAA
SCHEMBL2902888 0.81 MTOR (0.67) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL2903052 0.81 PIK3CA (0.58) MTORPIK3CAPIK3CDPIK3CGLMNA
SCHEMBL2906137 0.81 MTOR (0.55) ALDH1A1KMT2AMEN1MAPK1MTOR
SCHEMBL2908853 0.81 MTOR (0.79) ALDH1A1KMT2AMEN1MAPK1MTOR
SCHEMBL2906470 0.80 MTOR (0.57) MTORPIK3CAPIK3CDPIK3CG

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 4 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

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 ALDH1A1 3754/4885KMT2A 752/4885MEN1 693/4885
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A ALDH1A1 4391/4885KMT2A 3633/4885MEN1 2836/4885

“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.