SCHEMBL248533

SCHEMBL248533

COc1ccc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3cc(C)ccn3)nc3cc(F)cc(F)c23)cn1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.54
PIK3CA P42336 11/20 0.46
ATR Q13535 1/20 0.40
LRRK2 Q5S007 2/20 0.40
ZAP70 P43403 1/20 0.36
SYK P43405 1/20 0.36
KCNH2 Q12809 1/20 0.35
PIK3CB P42338 2/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35
PTK2 Q05397 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
RAF1 P04049 1/20 0.35
BRAF P15056 1/20 0.35

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
SCHEMBL248643 0.93 PIK3CD (0.52) PIK3CDPIK3CAATRZAP70MTOR
SCHEMBL247235 0.92 PIK3CD (0.64) PIK3CDPIK3CAATRLRRK2PIK3CB
SCHEMBL249119 0.92 PIK3CD (0.52) PIK3CDPIK3CAATRLRRK2KCNH2
SCHEMBL246471 0.90 PIK3CD (0.49) PIK3CDPIK3CAATRLRRK2KCNH2
SCHEMBL247333 0.90 PIK3CD (0.52) PIK3CDPIK3CAATRLRRK2ZAP70
SCHEMBL2712239 0.90 PIK3CD (0.59) PIK3CDPIK3CAATRKCNH2JAK2
SCHEMBL248178 0.90 PIK3CD (0.53) PIK3CDPIK3CAATRLRRK2PIK3CB
SCHEMBL247661 0.89 PIK3CD (0.49) PIK3CDPIK3CAATRLRRK2KCNH2
SCHEMBL14849149 0.89 PIK3CD (0.47) PIK3CDPIK3CAATRLRRK2KCNH2
SCHEMBL245470 0.87 PIK3CD (0.47) PIK3CDPIK3CAATRLRRK2KCNH2

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 PIK3CD 24/4885PIK3CA 28/4885ATR 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.