SCHEMBL249196

SCHEMBL249196

Cc1c(-c2ccccn2)nc2c(C#N)cccc2c1Nc1cccc(N2CCOCC2)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 6/20 0.40
HTT P42858 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
METAP1 P53582 2/20 0.39
MAP3K8 P41279 1/20 0.39
CLK2 P49760 1/20 0.38
GSK3A P49840 1/20 0.38
GSK3B P49841 1/20 0.38
CSNK2A1 P68400 1/20 0.38
STK3 Q13188 1/20 0.38
HIPK4 Q8NE63 1/20 0.38
CLK4 Q9HAZ1 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37
PIK3CD O00329 1/20 0.37
SOS1 Q07889 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
SCHEMBL246551 0.91 HTT (0.39) PIK3CAHTTATML3MBTL1MAP3K8
SCHEMBL248472 0.87 PIK3R2 (0.44) PIK3CAMETAP1CLK2GSK3AGSK3B
SCHEMBL2711238 0.83 PIK3CD (0.48) PIK3CANPSR1PIK3CBPIK3CGPIK3CD
SCHEMBL13019249 0.82 PIK3CA (0.43) PIK3CAMETAP1PIK3CBPIK3CGPIK3CD
SCHEMBL248197 0.81 PIK3CD (0.41) PIK3CAHTTATML3MBTL1METAP1
SCHEMBL248664 0.78 PIK3CA (0.41) PIK3CACLK2GSK3AGSK3BCSNK2A1
SCHEMBL248279 0.75 PIK3CD (0.63) PIK3CAPIK3CBPIK3CGPIK3CD
SCHEMBL2713674 0.74 PIK3CA (0.42) PIK3CAL3MBTL1MAPK1PIK3R2LRRK2
SCHEMBL2711847 0.74 PIK3CA (0.42) PIK3CAL3MBTL1MAPK1PIK3R2LRRK2
SCHEMBL2711424 0.71 PIK3CD (0.51) PIK3CAMETAP1NPSR1PIK3CBPIK3CG

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 28/4885HTT 1044/4885ATM 639/4885

“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.