SCHEMBL248133

SCHEMBL248133

Cc1c(N2CCN(C(=O)N(C)C)CC2)nc2cc(F)cc(F)c2c1Nc1cccc(N2CCOCC2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.43
PIK3CD O00329 2/20 0.39
KIF18A Q8NI77 3/20 0.37
IRAK4 Q9NWZ3 1/20 0.37
CLK2 P49760 1/20 0.36
GSK3A P49840 1/20 0.36
GSK3B P49841 1/20 0.36
CSNK2A1 P68400 1/20 0.36
STK3 Q13188 1/20 0.36
HIPK4 Q8NE63 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
MAPT P10636 1/20 0.36
KDM4E B2RXH2 1/20 0.35
FAAH O00519 1/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
PIK3CB P42338 1/20 0.35
MTOR P42345 1/20 0.35
PIK3CG P48736 1/20 0.35
GAA P10253 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
SCHEMBL252079 1.00 PIK3CA (0.43) PIK3CAPIK3CDKIF18AIRAK4CLK2
SCHEMBL245762 0.92 PIK3CA (0.43) PIK3CAPIK3CDKIF18AIRAK4CLK2
SCHEMBL247290 0.91 PIK3CA (0.52) PIK3CAPIK3CDKIF18AIRAK4CLK2
SCHEMBL248486 0.88 PIK3CA (0.53) PIK3CAPIK3CDKIF18ACLK2GSK3A
SCHEMBL14849005 0.87 PIK3CA (0.49) PIK3CAPIK3CDKDM4E
SCHEMBL248725 0.85 PIK3CA (0.50) PIK3CAPIK3CDKIF18APIK3CBMTOR
SCHEMBL247990 0.85 PIK3CA (0.48) PIK3CAPIK3CDKDM4E
SCHEMBL2710884 0.81 PIK3CA (0.49) PIK3CAPIK3CD
SCHEMBL248229 0.81 PIK3CA (0.51) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL245594 0.80 PIK3CA (0.52) PIK3CAPIK3CDMTORPIK3CG

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 PIK3CA 28/4885PIK3CD 24/4885KIF18A 3401/4885

“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.