SCHEMBL245535

SCHEMBL245535

Cc1c(N2CCN(C(=O)OC(C)(C)C)CC2)nc2cc(F)cc(F)c2c1Nc1ccnc(N2CCOCC2)c1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.54
TBK1 Q9UHD2 2/20 0.43
PIK3CD O00329 1/20 0.39
GALR2 O43603 1/20 0.38
GALR1 P47211 1/20 0.38
MTOR P42345 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
TSHR P16473 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LRRK2 Q5S007 1/20 0.37
ACHE P22303 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
RAF1 P04049 1/20 0.36
BRAF P15056 1/20 0.36
WNT3A P56704 1/20 0.36
MAP4K4 O95819 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
SCHEMBL3405701 0.93 PIK3CA (0.53) PIK3CAPIK3CDMTORMAPTRAF1
SCHEMBL249034 0.89 PIK3CA (0.45) PIK3CAPIK3CDMAPTRAF1BRAF
SCHEMBL248486 0.86 PIK3CA (0.53) PIK3CATBK1PIK3CDGALR2GALR1
SCHEMBL2712367 0.84 PIK3CA (0.60) PIK3CAPIK3CDMEN1MAPTTSHR
SCHEMBL248117 0.83 PIK3CA (0.51) PIK3CAPIK3CDMTOR
SCHEMBL2713620 0.83 PIK3CA (0.64) PIK3CAPIK3CDMEN1MAPTTSHR
SCHEMBL248782 0.83 PIK3CA (0.49) PIK3CAPIK3CD
SCHEMBL2728526 0.81 PIK3CA (0.56) PIK3CAPIK3CDMEN1MAPTTSHR
SCHEMBL247874 0.80 PIK3CA (0.47) PIK3CATBK1PIK3CDMTORTSHR
SCHEMBL14849003 0.79 PIK3CD (0.36) PIK3CATBK1PIK3CDMTORRAF1

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 28/4885TBK1 351/4885PIK3CD 24/4885

“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.