SCHEMBL1990422

SCHEMBL1990422

CNC(=O)c1c(-c2ccccn2)c(C(C)NC(=O)OC(C)(C)C)nc2cccnc12

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.43
PIK3CA P42336 2/20 0.43
PIK3CB P42338 2/20 0.43
PIK3CG P48736 2/20 0.43
KDM4E B2RXH2 6/20 0.38
ALDH1A1 P00352 3/20 0.37
HTT P42858 2/20 0.37
HPGD P15428 1/20 0.37
GAA P10253 2/20 0.35
SCN9A Q15858 9/20 0.35
CYP3A4 P08684 4/20 0.35
AAK1 Q2M2I8 1/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SCN10A Q9Y5Y9 1/20 0.34

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
SCHEMBL1995280 0.91 CYP3A4 (0.39) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL1992065 0.90 KDM4E (0.39) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL1995268 0.86 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL9959948 0.85 PIK3CD (0.41) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL3788051 0.83 PIK3CD (0.60) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL1989302 0.82 KDM4E (0.39) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL12564700 0.81 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL3775458 0.77 MEN1 (0.44) PIK3CDPIK3CAPIK3CBPIK3CGGAA
SCHEMBL1989715 0.77 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL9958921 0.77 DHODH (0.40) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E

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
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
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

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 PIK3CD 16/4885PIK3CA 26/4885PIK3CB 35/4885

“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.