SCHEMBL246551

SCHEMBL246551

Cc1ccnc(-c2nc3c(C#N)cccc3c(Nc3cccc(N4CCOCC4)n3)c2C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CLK2 P49760 1/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
CSNK2A1 P68400 1/20 0.39
STK3 Q13188 1/20 0.39
HIPK4 Q8NE63 1/20 0.39
CLK4 Q9HAZ1 1/20 0.39
PIK3R2 O00459 2/20 0.39
ATR Q13535 3/20 0.39
ATRIP Q8WXE1 3/20 0.39
SMG1 Q96Q15 2/20 0.39
CDK1 P06493 1/20 0.39
CDK2 P24941 1/20 0.39
MAP3K8 P41279 1/20 0.38
SOS1 Q07889 2/20 0.38
PIK3CA P42336 2/20 0.37
PDE4D Q08499 1/20 0.36

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
SCHEMBL249196 0.91 PIK3CA (0.40) HTTATML3MBTL1CLK2GSK3A
SCHEMBL248664 0.87 PIK3CA (0.41) CLK2GSK3AGSK3BCSNK2A1STK3
SCHEMBL2713674 0.83 PIK3CA (0.42) L3MBTL1PIK3R2CDK2PIK3CALRRK2
SCHEMBL2711847 0.83 PIK3CA (0.42) L3MBTL1PIK3R2CDK2PIK3CALRRK2
SCHEMBL248472 0.78 PIK3R2 (0.44) CLK2GSK3AGSK3BCSNK2A1STK3
SCHEMBL247436 0.77 PIK3CA (0.44) CLK2GSK3AGSK3BCSNK2A1STK3
SCHEMBL2711517 0.76 PIK3CD (0.42) PIK3R2ATRATRIPPIK3CA
SCHEMBL2712504 0.76 PIK3CD (0.42) PIK3R2ATRATRIPPIK3CA
SCHEMBL2711238 0.76 PIK3CD (0.48) PIK3R2PIK3CA
SCHEMBL246138 0.76 PIK3CD (0.53) CLK2GSK3AGSK3BCSNK2A1STK3

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 HTT 1044/4885ATM 639/4885L3MBTL1 2670/4885

“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.