SCHEMBL1995268

SCHEMBL1995268

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.46
PIK3CA P42336 5/20 0.46
PIK3CB P42338 5/20 0.46
PIK3CG P48736 5/20 0.46
KDM4E B2RXH2 3/20 0.41
GAA P10253 1/20 0.41
DHODH Q02127 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP3A4 P08684 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE10A Q9Y233 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
TACR3 P29371 1/20 0.36
SLC2A1 P11166 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
SCHEMBL1989715 0.90 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGDHODH
SCHEMBL1990422 0.86 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL12564700 0.86 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL9959801 0.83 PIK3CD (0.46) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL1995280 0.78 CYP3A4 (0.39) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL1992065 0.78 KDM4E (0.39) PIK3CDPIK3CAPIK3CBPIK3CGKDM4E
SCHEMBL1992273 0.77 PIK3CD (0.77) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL1990243 0.77 PIK3CD (0.77) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL1990247 0.77 PIK3CD (0.77) PIK3CDPIK3CAPIK3CBPIK3CGCYP3A4
SCHEMBL12564694 0.77 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGDHODH

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 2 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-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.