SCHEMBL248047

SCHEMBL248047

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

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 2/20 0.44
MAP3K12 Q12852 7/20 0.43
ALK Q9UM73 1/20 0.43
CNR2 P34972 2/20 0.42
ALOX5AP P20292 1/20 0.42
FEN1 P39748 1/20 0.42
PIK3CA P42336 2/20 0.41
MTOR P42345 2/20 0.41
TDO2 P48775 1/20 0.39
RXRA P19793 1/20 0.38
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
MAP4K1 Q92918 1/20 0.38
MET P08581 1/20 0.37

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
SCHEMBL252272 0.91 ALK (0.47) ALKCNR2ALOX5APFEN1MAP4K1
SCHEMBL246958 0.87 ALK (0.49) ALKCNR2PIK3CAMTORMAP4K1
SCHEMBL248108 0.84 PIK3CA (0.49) ALKCNR2ALOX5APFEN1PIK3CA
SCHEMBL248275 0.84 PIK3CA (0.44) MAP3K12ALKCNR2PIK3CAMTOR
SCHEMBL3410821 0.81 CNR2 (0.49) CNR2ALOX5APFEN1TDO2
SCHEMBL249638 0.72 LRRK2 (0.48) ALKALOX5APFEN1PIK3CAMTOR
SCHEMBL246130 0.72 LRRK2 (0.50) CNR2PIK3CAMTORMAP4K1
SCHEMBL14910307 0.72 KDM4E (0.47) MAP3K12CNR2PIK3CAMTOR
SCHEMBL248634 0.72 FYN (0.48) ALKPIK3CAMTORMAP4K1
SCHEMBL247209 0.71 LRRK2 (0.43) MAP3K12CNR2PIK3CAMTOR

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 6 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
US-20130090323-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2013-04-11 US 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
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 GRM2 2576/4885MAP3K12 660/4885ALK 502/4885

“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.