SCHEMBL3405701

SCHEMBL3405701

COC(=O)N1CCN(c2nc3cc(F)cc(F)c3c(Nc3ccnc(N4CCOCC4)c3)c2C)CC1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.53
PIK3CD O00329 1/20 0.42
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
KIT P10721 1/20 0.37
GPR6 P46095 2/20 0.37
MTOR P42345 2/20 0.37
MAPT P10636 1/20 0.37
TGFBR1 P36897 1/20 0.37
MAP3K7 O43318 1/20 0.36
IRAK4 Q9NWZ3 1/20 0.36
MAPK14 Q16539 1/20 0.36
HRH3 Q9Y5N1 1/20 0.35
TDO2 P48775 1/20 0.35

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
SCHEMBL245535 0.93 PIK3CA (0.54) PIK3CAPIK3CDRAF1BRAFMTOR
SCHEMBL249034 0.92 PIK3CA (0.45) PIK3CAPIK3CDRAF1BRAFKIT
SCHEMBL248117 0.86 PIK3CA (0.51) PIK3CAPIK3CDMTORTDO2
SCHEMBL248782 0.85 PIK3CA (0.49) PIK3CAPIK3CDTGFBR1TDO2
SCHEMBL247290 0.85 PIK3CA (0.52) PIK3CAPIK3CDKITMAPTIRAK4
SCHEMBL2712876 0.83 PIK3CA (0.59) PIK3CAPIK3CD
SCHEMBL2711544 0.83 PIK3CA (0.64) PIK3CAPIK3CD
SCHEMBL248754 0.80 PIK3CA (0.47) PIK3CAPIK3CDBRAFKITMTOR
SCHEMBL2729435 0.79 PIK3CA (0.60) PIK3CAPIK3CD
SCHEMBL248486 0.78 PIK3CA (0.53) PIK3CAPIK3CDRAF1BRAFMTOR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 24/4885RAF1 345/4885

“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.