SCHEMBL247477

SCHEMBL247477

COc1ccc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(N3CCCC3=O)nc3cc(F)cc(F)c23)cn1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 12/20 0.47
PIK3CD O00329 1/20 0.42
ATR Q13535 1/20 0.35
PI4KA P42356 1/20 0.35
PIK3CG P48736 1/20 0.35
LRRK2 Q5S007 1/20 0.34
ALK Q9UM73 1/20 0.34
MTOR P42345 1/20 0.34
JAK2 O60674 1/20 0.34
JAK3 P52333 1/20 0.34
PTK2 Q05397 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
RRM1 P23921 1/20 0.34
RRM2B Q7LG56 1/20 0.34

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
SCHEMBL246549 0.98 PIK3CA (0.47) PIK3CAPIK3CDATRPI4KAPIK3CG
SCHEMBL249015 0.90 PIK3CA (0.51) PIK3CAPIK3CDMTOR
SCHEMBL14849127 0.89 PIK3CA (0.37) PIK3CAPIK3CDATRPIK3CGLRRK2
SCHEMBL248910 0.88 PIK3CA (0.51) PIK3CAPIK3CDMTOR
SCHEMBL247505 0.88 PIK3CA (0.47) PIK3CAPIK3CDATRLRRK2
SCHEMBL246539 0.88 PIK3CA (0.51) PIK3CAPIK3CDMTOR
SCHEMBL247229 0.87 PIK3CA (0.46) PIK3CAPIK3CDALKMTOR
SCHEMBL248461 0.87 PIK3CA (0.47) PIK3CAPIK3CDATRMTOR
SCHEMBL248778 0.87 PIK3CA (0.47) PIK3CAPIK3CDMTOR
SCHEMBL248451 0.86 PIK3CA (0.51) PIK3CAPIK3CDMTOR

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 4 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
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 28/4885PIK3CD 24/4885ATR 203/4885

“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.