SCHEMBL4547799

SCHEMBL4547799

CC(C)(C)n1c(=O)c2ncccc2n(C(C)(C)C)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.39
MAPT P10636 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
GRM4 Q14833 1/20 0.36
PDE4A P27815 1/20 0.34
SLC6A2 P23975 1/20 0.34
FEN1 P39748 1/20 0.33
GSK3B P49841 1/20 0.33
CMA1 P23946 1/20 0.33
COMT P21964 1/20 0.33
DAO P14920 1/20 0.33
HSP90AA1 P07900 2/20 0.32
NPC1 O15118 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PLK1 P53350 1/20 0.32
HTT P42858 2/20 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
SCHEMBL22016242 0.87 GRM4 (0.44) SMN1; SMN2MAPTMEN1KMT2AADORA3
SCHEMBL4547803 0.74 TNF (0.33) GRM4
SCHEMBL14584044 0.73 SLC6A2 (0.45) SMN1; SMN2KMT2ASLC6A2FEN1GSK3B
SCHEMBL4547805 0.73 FEN1 (0.50) MAPTMEN1KMT2AGRM4PDE4A
SCHEMBL19567712 0.72 L3MBTL1 (0.42) SMN1; SMN2MAPTMEN1KMT2ASLC6A2
SCHEMBL4547798 0.72 ERCC1 (0.44) SMN1; SMN2KMT2ASLC6A2FEN1HTT
SCHEMBL24312097 0.71 ADORA3 (0.47) MAPTADORA3ADORA2AADORA1DAO
SCHEMBL13819108 0.70 ADORA2A (0.53) SMN1; SMN2MAPTMEN1KMT2AADORA3
SCHEMBL16376943 0.70 HSP90AA1 (0.36) SMN1; SMN2MAPTMEN1KMT2AADORA3
SCHEMBL21676753 0.69 ADORA3 (0.41) SMN1; SMN2MAPTMEN1KMT2AADORA3

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-8501749-B2 Azaquinazolinediones chymase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-08-06 US disclosed
US-20120108597-A1 Azaquinazolinediones Chymase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-03 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-20120108597-A1 Azaquinazolinediones Chymase Inhibitors CMA1, SERPINB1, CTSC SMN1; SMN2 4116/4885MAPT 4585/4885MEN1 2129/4885

“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.