SCHEMBL248725

SCHEMBL248725

Cc1c(N2CCN(S(C)(=O)=O)CC2)nc2cc(F)cc(F)c2c1Nc1cccc(N2CCOCC2)n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 15/20 0.50
PIK3CD O00329 6/20 0.39
PIK3R1 P27986 6/20 0.38
PIK3CB P42338 2/20 0.37
MTOR P42345 1/20 0.36
PIK3CG P48736 1/20 0.36
JAK2 O60674 2/20 0.36
JAK3 P52333 2/20 0.36
KIF18A Q8NI77 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
SCHEMBL14849005 0.88 PIK3CA (0.49) PIK3CAPIK3CD
SCHEMBL245762 0.87 PIK3CA (0.43) PIK3CAPIK3CDKIF18A
SCHEMBL247990 0.86 PIK3CA (0.48) PIK3CAPIK3CD
SCHEMBL247290 0.85 PIK3CA (0.52) PIK3CAPIK3CDPIK3CBKIF18A
SCHEMBL252079 0.85 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL248133 0.85 PIK3CA (0.43) PIK3CAPIK3CDPIK3CBMTORPIK3CG
SCHEMBL248117 0.85 PIK3CA (0.51) PIK3CAPIK3CDPIK3R1MTOR
SCHEMBL248486 0.83 PIK3CA (0.53) PIK3CAPIK3CDMTORKIF18A
SCHEMBL248229 0.82 PIK3CA (0.51) PIK3CAPIK3CDMTORPIK3CG
SCHEMBL245594 0.81 PIK3CA (0.52) PIK3CAPIK3CDMTORPIK3CG

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 24/4885PIK3R1 48/4885

“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.