SCHEMBL2903052

SCHEMBL2903052

N#Cc1cccc(-c2nc(N3CCOCC3)c3ccc(-c4ccc(Cl)cc4)nc3n2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.58
PIK3CG P48736 2/20 0.58
MTOR P42345 11/20 0.52
CYP1A2 P05177 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2D6 P10635 2/20 0.48
LMNA P02545 1/20 0.48
TP53 P04637 1/20 0.48
PIK3CD O00329 2/20 0.47
TSHR P16473 1/20 0.47
LRRK2 Q5S007 2/20 0.44
MST1 P26927 1/20 0.43
STK4 Q13043 1/20 0.43
STK3 Q13188 1/20 0.43
STK26 Q9P289 1/20 0.43
ADK P55263 1/20 0.43
ADORA2A P29274 1/20 0.42
ADORA1 P30542 1/20 0.42
PRKDC P78527 1/20 0.42

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) PIK3CAPIK3CGMTORCYP1A2CYP3A4
SCHEMBL2906004 0.85 MTOR (0.54) PIK3CAPIK3CGMTORLMNAPIK3CD
SCHEMBL2906122 0.83 MTOR (0.52) PIK3CAPIK3CGMTORCYP1A2CYP3A4
SCHEMBL2906137 0.83 MTOR (0.55) PIK3CAPIK3CGMTORCYP1A2CYP3A4
SCHEMBL2902888 0.83 MTOR (0.67) PIK3CAPIK3CGMTORPIK3CD
SCHEMBL2906101 0.83 NPSR1 (0.54) PIK3CAPIK3CGMTORPIK3CDADK
SCHEMBL2907994 0.82 MTOR (0.54) PIK3CAPIK3CGMTORPIK3CDLRRK2
SCHEMBL2906100 0.81 ALDH1A1 (0.63) PIK3CAPIK3CGMTORLMNAPIK3CD
SCHEMBL2901048 0.81 MTOR (0.56) PIK3CAPIK3CGMTORPIK3CD
SCHEMBL2931794 0.81 MTOR (0.75) PIK3CAMTORPIK3CD

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 PIK3CA 9/4885PIK3CG 61/4885MTOR 1/4885
US-20080194546-A1 Pyrido-, Pyrazo- and Pyrimido-Pyrimidine Derivatives as mTOR Inhibitors RPS6KB1, RPS6KA1, RPS3A PIK3CA 729/4885PIK3CG 1099/4885MTOR 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.