SCHEMBL249007

SCHEMBL249007

COc1cncc(-c2cnc(Cl)cc2Nc2c(C)c(-c3ccccn3)nc3cc(F)cc(F)c23)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.48
PDE10A Q9Y233 1/20 0.35
PIK3CA P42336 4/20 0.35
KCNA5 P22460 1/20 0.33
KCNH2 Q12809 1/20 0.33
CYP11B1 P15538 6/20 0.32
CYP11B2 P19099 6/20 0.32
CYP17A1 P05093 3/20 0.32
CYP3A4 P08684 1/20 0.32
TP53 P04637 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
HCRTR2 O43614 1/20 0.31
TGFBR1 P36897 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.30
KDM4E B2RXH2 1/20 0.30
NPC1 O15118 1/20 0.30

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
SCHEMBL253882 0.88 PIK3CD (0.45) PIK3CDPDE10APIK3CAKCNA5KCNH2
SCHEMBL14849159 0.86 PIK3CD (0.48) PIK3CDPDE10APIK3CAKCNA5KCNH2
SCHEMBL246156 0.86 PIK3CD (0.52) PIK3CDPDE10APIK3CACYP11B1CYP11B2
SCHEMBL247912 0.85 PIK3CD (0.48) PIK3CDPDE10APIK3CAKCNA5KCNH2
SCHEMBL249060 0.85 PIK3CD (0.60) PIK3CDPIK3CA
SCHEMBL247672 0.84 PIK3CD (0.50) PIK3CDPIK3CA
SCHEMBL2713399 0.82 PIK3CD (0.65) PIK3CDPIK3CA
SCHEMBL3778350 0.82 PIK3CD (0.65) PIK3CDPIK3CA
SCHEMBL243055 0.79 PIK3CD (0.56) PIK3CDPIK3CACYP3A4
SCHEMBL2711750 0.79 PIK3CD (0.56) PIK3CDPIK3CA

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 PIK3CD 24/4885PDE10A 3392/4885PIK3CA 28/4885

“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.