SCHEMBL248889

SCHEMBL248889

Cc1nc2cc(F)cc(F)c2c(Nc2cc(N3CCOCC3)ncc2-c2ccc(S(C)(=O)=O)cc2)c1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 3/20 0.45
PIK3CA P42336 6/20 0.41
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.38
KMT2A Q03164 1/20 0.38
ATR Q13535 2/20 0.38
ATRIP Q8WXE1 2/20 0.38
KCNH2 Q12809 1/20 0.38
RAF1 P04049 3/20 0.38
BRAF P15056 3/20 0.38
MTOR P42345 2/20 0.37
PIK3CB P42338 1/20 0.37
PIK3CG P48736 1/20 0.37
PRKDC P78527 1/20 0.37
PIK3C3 Q8NEB9 1/20 0.37
LRRK2 Q5S007 1/20 0.36
JAK2 O60674 2/20 0.36
JAK3 P52333 2/20 0.36
PTK2 Q05397 2/20 0.36
AOC3 Q16853 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
SCHEMBL247431 0.90 PIK3CD (0.43) PIK3CDPIK3CAMEN1GAAKMT2A
SCHEMBL246187 0.88 PIK3CD (0.62) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL248461 0.87 PIK3CA (0.47) PIK3CDPIK3CAMEN1GAAKMT2A
SCHEMBL245514 0.87 PIK3CA (0.48) PIK3CDPIK3CAMTORPIK3CB
SCHEMBL245564 0.81 PIK3CD (0.42) PIK3CDPIK3CAGAAATRATRIP
SCHEMBL246191 0.81 PIK3CD (0.61) PIK3CDPIK3CAMTORPIK3CBPIK3CG
SCHEMBL248303 0.81 PIK3CD (0.59) PIK3CDPIK3CAATRATRIPRAF1
SCHEMBL247991 0.81 PIK3CD (0.61) PIK3CDPIK3CABRAFMTORPIK3CB
SCHEMBL247353 0.80 PIK3CD (0.58) PIK3CDPIK3CARAF1BRAFMTOR
SCHEMBL252021 0.79 PIK3CD (0.68) PIK3CDPIK3CAPIK3CBPIK3CG

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 24/4885PIK3CA 28/4885MEN1 1146/4885

“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.