SCHEMBL9959948

SCHEMBL9959948

CNC(=O)c1c(-c2ccccn2)c(C(C)NC(=O)OC(C)(C)C)nc2ncccc12

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.41
PIK3CA P42336 4/20 0.41
PIK3CB P42338 4/20 0.41
PIK3CG P48736 4/20 0.41
KDM4E B2RXH2 2/20 0.35
GAA P10253 2/20 0.35
AAK1 Q2M2I8 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
METAP1 P53582 1/20 0.33
DHODH Q02127 1/20 0.33
SCN9A Q15858 4/20 0.32
CYP3A4 P08684 1/20 0.32
ADORA3 P0DMS8 1/20 0.32

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
SCHEMBL9952525 0.91 DHODH (0.39) PIK3CDPIK3CAPIK3CBPIK3CGGAA
SCHEMBL9958921 0.90 DHODH (0.40) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL9959801 0.86 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL1990422 0.85 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL3788051 0.83 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL9958800 0.82 DHODH (0.46) GAAKMT2AALDH1A1MEN1NPC1
SCHEMBL2730015 0.81 BRD4 (0.37) PIK3CDKDM4EKMT2AALDH1A1MAPT
SCHEMBL15306325 0.81 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL3775458 0.77 MEN1 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGGAA
SCHEMBL9958978 0.77 DHODH (0.46) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1

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-2655342-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2013-10-30 EP disclosed
US-20130267526-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN, INC. (CA) 2013-10-10 US disclosed
US-20130267526-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN, INC. (CA) 2013-10-10 US disclosed
US-20130267526-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN, INC. (CA) 2013-10-10 US disclosed
WO-2012087784-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-06-28 WO disclosed
WO-2012087784-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2012-06-28 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-20130267526-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 PIK3CD 25/4885PIK3CA 23/4885PIK3CB 43/4885

“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.