SCHEMBL1995280

SCHEMBL1995280

CNC(=O)c1c(-c2ccccc2)c(C(C)NC(=O)OC(C)(C)C)nc2cccnc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 5/20 0.39
PIK3CD O00329 4/20 0.39
PIK3CA P42336 4/20 0.39
PIK3CB P42338 4/20 0.39
PIK3CG P48736 4/20 0.39
KDM4E B2RXH2 4/20 0.38
LIPG Q9Y5X9 1/20 0.37
SCN9A Q15858 7/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 2/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 2/20 0.36
PTPN1 P18031 1/20 0.35
SCN10A Q9Y5Y9 3/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL1989302 0.91 KDM4E (0.39) CYP3A4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1990422 0.91 PIK3CD (0.43) CYP3A4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3775458 0.87 MEN1 (0.44) CYP3A4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1989715 0.87 PIK3CD (0.43) CYP3A4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL9952525 0.85 DHODH (0.39) CYP3A4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL1992065 0.83 KDM4E (0.39) CYP3A4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL12564694 0.81 PIK3CD (0.42) CYP3A4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3777865 0.80 PIK3CD (0.57) CYP3A4PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL2719664 0.80 LMNA (0.48) LIPGMEN1NPC1GAARAB9A
SCHEMBL3778054 0.79 PIK3CD (0.40) CYP3A4PIK3CDPIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8633313-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-01-21 US disclosed
US-8633313-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-01-21 US disclosed
US-8633313-B2 Heterocyclic compounds and their uses AMGEN INC. (US) 2014-01-21 US disclosed
EP-2513109-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES Amgen Inc. (US) 2012-10-24 EP disclosed
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 US disclosed
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 US disclosed
US-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 US disclosed
WO-2011075628-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES AMGEN INC. (US) 2011-06-23 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-20110152296-A1 HETEROCYCLIC COMPOUNDS AND THEIR USES MCL1, BCL9, MALT1 CYP3A4 3267/4885PIK3CD 16/4885PIK3CA 26/4885

“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.