SCHEMBL4551428

SCHEMBL4551428

CCn1c(=O)c2ncccc2n(CC)c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CMA1 P23946 1/20 0.45
ADORA2A P29274 4/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA1 P30542 1/20 0.44
MAPK14 Q16539 1/20 0.43
MAPK8 P45983 1/20 0.42
PGR P06401 1/20 0.42
ADORA2B P29275 2/20 0.41
PLK1 P53350 1/20 0.40
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HSD17B10 Q99714 1/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39

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
SCHEMBL19009218 0.80 MAPK14 (0.50) MAPK14ALDH1A1KDM4ELMNAHPGD
SCHEMBL4552886 0.75 FEN1 (0.51) ADORA2AADORA1MAPK8ADORA2BMAPT
SCHEMBL4621924 0.73 ALDH1A1 (0.59) MAPK8PGRALDH1A1KDM4ELMNA
SCHEMBL2068569 0.73 FEN1 (0.46) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL13866623 0.72 PTGER4 (0.59) MAPK14ALDH1A1KDM4ELMNAHPGD
SCHEMBL17434075 0.72 ALDH1A1 (0.49) ADORA2AADORA1ADORA2BALDH1A1KDM4E
SCHEMBL17434239 0.72 ALDH1A1 (0.41) ADORA2AADORA1MAPK8PGRADORA2B
SCHEMBL6362477 0.72 PGR (0.68) MAPK8PGRALDH1A1KDM4EMAPK1
SCHEMBL30485670 0.72 PGR (0.68) MAPK8PGRALDH1A1KDM4EMAPK1
SCHEMBL1666075 0.71 NR3C1 (0.44) MAPK14KDM4ELMNAMAPTPDE4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CMA1 1/4885ADORA2A 4651/4885ADORA3 4114/4885

“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.