SCHEMBL2124487

SCHEMBL2124487

CC(=O)N1CC2(CCOCC2)c2ccc(N3CCOCC3)cc21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 9/20 0.49
PIK3CD O00329 3/20 0.49
PIK3CB P42338 3/20 0.49
NOTUM Q6P988 3/20 0.49
PRKDC P78527 1/20 0.46
AKT1 P31749 2/20 0.45
LGMN Q99538 2/20 0.43
MAPT P10636 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2724366 0.90 PRKDC (0.46) PIK3CAPIK3CDPIK3CBNOTUMPRKDC
SCHEMBL2126046 0.87 PIK3CA (0.44) PIK3CAPIK3CDPIK3CBNOTUMPRKDC
SCHEMBL2123409 0.85 NOTUM (0.52) PIK3CAPIK3CDPIK3CBNOTUMPRKDC
SCHEMBL2126993 0.81 PIK3CA (0.46) PIK3CAPIK3CDPIK3CBPRKDCAKT1
SCHEMBL30898712 0.81 NOTUM (0.52) PIK3CANOTUMAKT1
SCHEMBL2125253 0.81 NOTUM (0.52) PIK3CANOTUMAKT1
SCHEMBL2729800 0.77 IDH1 (0.41) PIK3CAPIK3CDPIK3CBPRKDCLGMN
SCHEMBL2720821 0.77 PIK3CA (0.46) PIK3CAPIK3CDPIK3CBPRKDCLGMN
SCHEMBL17436499 0.77 PDE4B (0.53) NOTUM
SCHEMBL2124036 0.76 PIK3CA (0.42) PIK3CAPIK3CDPIK3CBLGMNMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
US-8765940-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-07-01 US disclosed
EP-2445902-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AS INHIBITORS OF PI3K ACTIVITY Amgen, Inc (US) 2012-05-02 EP disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
US-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-04-19 US disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 WO disclosed
WO-2010151737-A2 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2010-12-29 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-20120094972-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, MALT1, BCL9 PIK3CA 28/4885PIK3CD 24/4885PIK3CB 40/4885

“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.