SCHEMBL2124036

SCHEMBL2124036

CC(C)(C)OC(=O)N1CC2(CCS(=O)(=O)CC2)c2ccc(N3CCOCC3)cc21

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 7/20 0.42
IDH1 O75874 1/20 0.41
GPR119 Q8TDV5 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PIK3CD O00329 3/20 0.38
PIK3CB P42338 3/20 0.38
ABHD6 Q9BV23 1/20 0.38
USP30 Q70CQ3 1/20 0.38
LGMN Q99538 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MTOR P42345 1/20 0.36
ATM Q13315 1/20 0.36
PIK3R1 P27986 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
SCHEMBL2729800 0.88 IDH1 (0.41) PIK3CAIDH1GPR119MEN1KMT2A
SCHEMBL2126993 0.87 PIK3CA (0.46) PIK3CAMEN1KMT2APIK3CDPIK3CB
SCHEMBL2126408 0.81 KDM1A (0.36) GPR119USP30
SCHEMBL2124487 0.76 PIK3CA (0.49) PIK3CAMEN1KMT2APIK3CDPIK3CB
SCHEMBL28521491 0.75 NR1H2 (0.42) PIK3CAPIK3CDPIK3CBUSP30SMN1; SMN2
SCHEMBL22471426 0.75 PIK3CA (0.40) PIK3CAUSP30SMN1; SMN2
SCHEMBL29966436 0.75 PIK3CA (0.40) PIK3CAUSP30SMN1; SMN2
SCHEMBL2126046 0.75 PIK3CA (0.44) PIK3CAMEN1KMT2APIK3CDPIK3CB
SCHEMBL2123930 0.73 PIK3CA (0.56) PIK3CAIDH1
SCHEMBL30898670 0.72 NOTUM (0.53) SMN1; SMN2

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 7 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
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

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 28/4885IDH1 1581/4885GPR119 2093/4885

“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.