SCHEMBL248664

SCHEMBL248664

Cc1ccnc(-c2nc3c(Cl)cccc3c(Nc3cccc(N4CCOCC4)n3)c2C)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.41
CLK2 P49760 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
CSNK2A1 P68400 1/20 0.41
STK3 Q13188 1/20 0.41
HIPK4 Q8NE63 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
PIK3R2 O00459 16/20 0.40
CDK1 P06493 1/20 0.40
CDK2 P24941 1/20 0.40
SMG1 Q96Q15 1/20 0.40

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
SCHEMBL248472 0.90 PIK3R2 (0.44) PIK3CACLK2GSK3AGSK3BCSNK2A1
SCHEMBL246551 0.87 HTT (0.39) PIK3CACLK2GSK3AGSK3BCSNK2A1
SCHEMBL2712587 0.83 PIK3CA (0.45) PIK3CAPIK3R2
SCHEMBL2712362 0.82 PIK3R2 (0.46) PIK3CAPIK3R2
SCHEMBL247436 0.79 PIK3CA (0.44) PIK3CACLK2GSK3AGSK3BCSNK2A1
SCHEMBL246138 0.78 PIK3CD (0.53) PIK3CACLK2GSK3AGSK3BCSNK2A1
SCHEMBL249196 0.78 PIK3CA (0.40) PIK3CACLK2GSK3AGSK3BCSNK2A1
SCHEMBL2712179 0.75 PIK3CD (0.43) PIK3CAPIK3R2
SCHEMBL2711672 0.75 PIK3CD (0.43) PIK3CAPIK3R2
SCHEMBL2712660 0.75 PIK3CD (0.50) PIK3CAPIK3R2

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 28/4885CLK2 1560/4885GSK3A 728/4885

“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.