SCHEMBL245634

SCHEMBL245634

COc1cncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(N3CCCCC3=O)nc3cc(F)cc(F)c23)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.47
PIK3CD O00329 1/20 0.37
CLK1 P49759 1/20 0.34
DYRK1A Q13627 1/20 0.34
FYN P06241 1/20 0.34
ATR Q13535 1/20 0.34
ATRIP Q8WXE1 1/20 0.34
MTOR P42345 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
YES1 P07947 1/20 0.33
PIM1 P11309 1/20 0.33
MAPK1 P28482 1/20 0.33
KDR P35968 1/20 0.33
HIPK1 Q86Z02 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
SCHEMBL247505 0.98 PIK3CA (0.47) PIK3CAPIK3CDFYNATRATRIP
SCHEMBL248991 0.95 PIK3CA (0.45) PIK3CAPIK3CDCLK1DYRK1AFYN
SCHEMBL248451 0.91 PIK3CA (0.51) PIK3CAPIK3CDMTOR
SCHEMBL248271 0.90 PIK3CA (0.51) PIK3CAPIK3CD
SCHEMBL248910 0.89 PIK3CA (0.51) PIK3CAPIK3CDMTOR
SCHEMBL246539 0.88 PIK3CA (0.51) PIK3CAPIK3CDMTOR
SCHEMBL246449 0.88 PIK3CA (0.49) PIK3CAPIK3CDATRATRIP
SCHEMBL246549 0.88 PIK3CA (0.47) PIK3CAPIK3CDATRMTOR
SCHEMBL248170 0.87 PIK3CA (0.48) PIK3CAPIK3CD
SCHEMBL3414898 0.86 PIK3CA (0.47) 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 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 24/4885CLK1 2409/4885

“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.