SCHEMBL248108

SCHEMBL248108

Nc1cc(N2CCOCC2)ncc1-c1ccc(C(F)F)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.49
MTOR P42345 6/20 0.49
CNR2 P34972 5/20 0.46
ALOX5AP P20292 1/20 0.44
FEN1 P39748 1/20 0.44
TDO2 P48775 1/20 0.41
ALK Q9UM73 1/20 0.40
MET P08581 1/20 0.39
CTSD P07339 1/20 0.39
BACE1 P56817 1/20 0.39
KRAS P01116 1/20 0.39
SOS1 Q07889 1/20 0.39
PIK3CG P48736 1/20 0.39
RICTOR Q6R327 1/20 0.39
RPTOR Q8N122 1/20 0.39
MAPKAP1 Q9BPZ7 1/20 0.39
MLST8 Q9BVC4 1/20 0.39
ACVRL1 P37023 1/20 0.39
PIK3R1 P27986 1/20 0.39

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
SCHEMBL3410821 0.85 CNR2 (0.49) CNR2ALOX5APFEN1TDO2CTSD
SCHEMBL248047 0.84 GRM2 (0.44) PIK3CAMTORCNR2ALOX5APFEN1
SCHEMBL246958 0.82 ALK (0.49) PIK3CAMTORCNR2ALK
SCHEMBL252272 0.81 ALK (0.47) CNR2ALOX5APFEN1ALKMET
SCHEMBL248275 0.79 PIK3CA (0.44) PIK3CAMTORCNR2TDO2ALK
SCHEMBL14910307 0.75 KDM4E (0.47) PIK3CAMTORCNR2
SCHEMBL247209 0.75 LRRK2 (0.43) PIK3CAMTORCNR2PIK3R1
SCHEMBL247853 0.73 ATR (0.48) PIK3CAMTORPIK3CG
SCHEMBL246130 0.73 LRRK2 (0.50) PIK3CAMTORCNR2PIK3CG
SCHEMBL248414 0.72 LRRK2 (0.56) PIK3CAMTORSOS1PIK3CG

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2588471-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY Amgen Inc. (US) 2013-05-08 EP disclosed
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US disclosed
WO-2012003283-A1 HETEROCYCLIC COMPOUNDS AND THEIR USE AS INHIBITORS OF PI3K ACTIVITY AMGEN INC. (US) 2012-01-05 WO 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 (1 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-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CA 28/4885MTOR 314/4885CNR2 1496/4885

“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.