SCHEMBL245595

SCHEMBL245595

COc1cncc(-c2cnc(N3CCOCC3)cc2Nc2c(C)c(-c3ccccn3)nc3c(Cl)c(F)ccc23)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.41
ATR Q13535 3/20 0.41
ATRIP Q8WXE1 3/20 0.41
ALK Q9UM73 1/20 0.37
PIK3CA P42336 7/20 0.36
ABL1 P00519 1/20 0.36
NTRK1 P04629 1/20 0.36
YES1 P07947 1/20 0.36
PIM1 P11309 1/20 0.36
MAPK1 P28482 1/20 0.36
KDR P35968 1/20 0.36
HIPK1 Q86Z02 1/20 0.36
ROS1 P08922 1/20 0.36
FYN P06241 1/20 0.35
INPPL1 O15357 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
FGFR2 P21802 1/20 0.35
FGFR3 P22607 1/20 0.35
CLK1 P49759 1/20 0.34
DYRK1A Q13627 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
SCHEMBL248832 0.90 ATR (0.42) PIK3CDATRATRIPPIK3CAABL1
SCHEMBL248473 0.90 PIK3CD (0.44) PIK3CDATRATRIPALKPIK3CA
SCHEMBL247470 0.88 PIK3CA (0.46) PIK3CDATRATRIPPIK3CAABL1
SCHEMBL248111 0.87 PIK3CD (0.47) PIK3CDATRATRIPPIK3CAPIK3CB
SCHEMBL247262 0.85 PIK3CD (0.50) PIK3CDATRATRIPPIK3CAABL1
SCHEMBL249060 0.84 PIK3CD (0.60) PIK3CDATRATRIPPIK3CAABL1
SCHEMBL246713 0.80 PIK3R2 (0.47) PIK3CDPIK3CANPSR1PIK3CBPIK3CG
SCHEMBL3409959 0.78 PIK3CA (0.45) PIK3CDATRATRIPPIK3CAABL1
SCHEMBL2710939 0.77 PIK3CD (0.54) PIK3CDPIK3CANPSR1PIK3CBPIK3CG
SCHEMBL247672 0.76 PIK3CD (0.50) 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 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 24/4885ATR 203/4885ATRIP 1571/4885

“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.