SCHEMBL2899990

SCHEMBL2899990

Clc1ccc(-c2ccc3c(N4CCOCC4)nc(-c4cccc(-c5ccccc5)c4)nc3n2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 9/20 0.52
PIK3CA P42336 5/20 0.51
PIK3CD O00329 2/20 0.50
PIK3CG P48736 1/20 0.50
MAPK1 P28482 3/20 0.46
ALDH1A1 P00352 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADK P55263 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
MAPT P10636 2/20 0.45
TSHR P16473 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 1/20 0.44

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
SCHEMBL2906004 0.89 MTOR (0.54) MTORPIK3CAPIK3CDPIK3CGMEN1
SCHEMBL2902888 0.86 MTOR (0.67) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL2903052 0.86 PIK3CA (0.58) MTORPIK3CAPIK3CDPIK3CGADK
SCHEMBL2906137 0.86 MTOR (0.55) MTORPIK3CAPIK3CDPIK3CGMAPK1
SCHEMBL2906101 0.86 NPSR1 (0.54) MTORPIK3CAPIK3CDPIK3CGADK
SCHEMBL2906122 0.86 MTOR (0.52) MTORPIK3CAPIK3CDPIK3CGMAPK1
SCHEMBL2907994 0.85 MTOR (0.54) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL2906100 0.85 ALDH1A1 (0.63) MTORPIK3CAPIK3CDPIK3CGMAPK1
SCHEMBL2901048 0.84 MTOR (0.56) MTORPIK3CAPIK3CDPIK3CG
SCHEMBL2905846 0.84 MTOR (0.72) MTORPIK3CAPIK3CDPIK3CGMAPK1

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.