SCHEMBL248275

SCHEMBL248275

Nc1cc(N2CCOCC2)ncc1-c1ccc(OC(F)F)cc1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.44
MTOR P42345 5/20 0.44
KIT P10721 1/20 0.42
MAP3K12 Q12852 4/20 0.42
CNR2 P34972 5/20 0.40
ALK Q9UM73 1/20 0.40
BTK Q06187 1/20 0.39
TDO2 P48775 1/20 0.39
AKT1 P31749 1/20 0.38

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
SCHEMBL248047 0.84 GRM2 (0.44) PIK3CAMTORMAP3K12CNR2ALK
SCHEMBL248108 0.79 PIK3CA (0.49) PIK3CAMTORCNR2ALKTDO2
SCHEMBL246004 0.79 PIK3CA (0.45) PIK3CAMTORMAP3K12BTK
SCHEMBL252272 0.77 ALK (0.47) CNR2ALK
SCHEMBL249638 0.76 LRRK2 (0.48) PIK3CAMTORALK
SCHEMBL247853 0.75 ATR (0.48) PIK3CAMTORAKT1
SCHEMBL246130 0.75 LRRK2 (0.50) PIK3CAMTORCNR2
SCHEMBL3410821 0.75 CNR2 (0.49) CNR2TDO2
SCHEMBL246958 0.75 ALK (0.49) PIK3CAMTORKITCNR2ALK
SCHEMBL247209 0.75 LRRK2 (0.43) PIK3CAMTORMAP3K12CNR2

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 314/4885KIT 111/4885

“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.