SCHEMBL248782

SCHEMBL248782

Cc1c(N2CCNCC2)nc2cc(F)cc(F)c2c1Nc1ccnc(N2CCOCC2)c1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 10/20 0.49
PIK3CD O00329 1/20 0.42
TDO2 P48775 1/20 0.38
MAOB P27338 1/20 0.38
HTR6 P50406 1/20 0.38
CDK1 P06493 1/20 0.38
CDK2 P24941 1/20 0.38
SMG1 Q96Q15 1/20 0.38
LCK P06239 1/20 0.37
PTK6 Q13882 1/20 0.37
AURKB Q96GD4 1/20 0.37
JAK2 O60674 1/20 0.37
JAK1 P23458 1/20 0.37
TYK2 P29597 1/20 0.37
JAK3 P52333 1/20 0.37
TRPV3 Q8NET8 1/20 0.36
NMT1 P30419 1/20 0.36
TGFBR1 P36897 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
SCHEMBL248117 0.87 PIK3CA (0.51) PIK3CAPIK3CDTDO2CDK1CDK2
SCHEMBL249034 0.87 PIK3CA (0.45) PIK3CAPIK3CDTDO2TRPV3
SCHEMBL3405701 0.85 PIK3CA (0.53) PIK3CAPIK3CDTDO2TGFBR1
SCHEMBL247990 0.83 PIK3CA (0.48) PIK3CAPIK3CDAURKB
SCHEMBL245535 0.83 PIK3CA (0.54) PIK3CAPIK3CD
SCHEMBL245653 0.82 PIK3CA (0.55) PIK3CAPIK3CD
SCHEMBL2713121 0.79 PIK3CD (0.56) PIK3CAPIK3CD
SCHEMBL247630 0.77 CYP1A2 (0.42) PIK3CAPIK3CDJAK2JAK1JAK3
SCHEMBL2712018 0.75 PIK3CA (0.47) PIK3CAPIK3CD
SCHEMBL14849005 0.74 PIK3CA (0.49) PIK3CAPIK3CD

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 24/4885TDO2 1091/4885

“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.