SCHEMBL248178

SCHEMBL248178

COc1ccc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3cccc(C)n3)nc3cc(F)cc(F)c23)cn1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.53
PIK3CA P42336 11/20 0.39
PIK3CB P42338 2/20 0.38
ATR Q13535 2/20 0.37
LRRK2 Q5S007 1/20 0.37
JAK2 O60674 1/20 0.36
JAK3 P52333 1/20 0.36
PTK2 Q05397 1/20 0.36
CNR2 P34972 2/20 0.36
MTOR P42345 1/20 0.34
PIK3CG P48736 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
PDE10A Q9Y233 1/20 0.34
STK4 Q13043 1/20 0.33
STK3 Q13188 1/20 0.33
SIK2 Q9H0K1 1/20 0.33
STK26 Q9P289 1/20 0.33
STK24 Q9Y6E0 1/20 0.33

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
SCHEMBL247235 0.92 PIK3CD (0.64) PIK3CDPIK3CAPIK3CBATRLRRK2
SCHEMBL247661 0.90 PIK3CD (0.49) PIK3CDPIK3CAPIK3CBATRLRRK2
SCHEMBL248533 0.90 PIK3CD (0.54) PIK3CDPIK3CAPIK3CBATRLRRK2
SCHEMBL249119 0.90 PIK3CD (0.52) PIK3CDPIK3CAPIK3CBATRLRRK2
SCHEMBL14849149 0.87 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBATRLRRK2
SCHEMBL245470 0.86 PIK3CD (0.47) PIK3CDPIK3CAPIK3CBATRLRRK2
SCHEMBL246154 0.85 PIK3CA (0.49) PIK3CDPIK3CAATRJAK2JAK3
SCHEMBL248537 0.85 PIK3CD (0.62) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL249157 0.84 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBATRPIK3CG
SCHEMBL247692 0.83 PIK3CD (0.59) PIK3CDPIK3CAPIK3CBPIK3CG

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-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

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 PIK3CD 24/4885PIK3CA 28/4885PIK3CB 40/4885

“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.