SCHEMBL4547797

SCHEMBL4547797

CC(C)(C)n1c(=O)c2cnccc2n(C(C)(C)C)c1=O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 2/20 0.36
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 0.36
KDM5A P29375 1/20 0.35
GRM4 Q14833 1/20 0.34
FEN1 P39748 1/20 0.34
GSK3B P49841 1/20 0.33
CMA1 P23946 1/20 0.32
ELANE P08246 3/20 0.31
HTR6 P50406 1/20 0.31
MAOA P21397 4/20 0.31
MAOB P27338 4/20 0.31
ACHE P22303 1/20 0.31
HPD P32754 1/20 0.31
CYP2D6 P10635 1/20 0.30

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
SCHEMBL22016240 0.87 GRM4 (0.43) ADORA3ADORA2AADORA1KDM5AGRM4
SCHEMBL4547801 0.87 KDM5A (0.41) ADORA3ADORA2AADORA1KDM5AFEN1
SCHEMBL22016239 0.78 ADORA3 (0.43) ADORA3ADORA2AADORA1KDM5AGRM4
SCHEMBL4547798 0.75 ERCC1 (0.44) FEN1
SCHEMBL12049021 0.75 HPD (0.42) ADORA3ADORA2AADORA1KDM5AGRM4
SCHEMBL21420952 0.72 MAOA (0.54) MAOAMAOBACHECYP2D6
SCHEMBL22017503 0.71 FEN1 (0.60) ADORA3ADORA2AADORA1FEN1HTR6
SCHEMBL9534299 0.70 ADORA3 (0.49) ADORA3ADORA2AADORA1GRM4FEN1
SCHEMBL4547804 0.70 GRM4 (0.34) GRM4
SCHEMBL21676746 0.69 MAOA (0.39) ADORA3ADORA2AADORA1KDM5AGRM4

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 ADORA3 4114/4885ADORA2A 4651/4885ADORA1 3969/4885

“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.