SCHEMBL4552886

SCHEMBL4552886

CCn1c(=O)c2cccnc2n(CC)c1=O

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FEN1 P39748 1/20 0.51
TP53 P04637 1/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
THRB P10828 2/20 0.49
RXFP1 Q9HBX9 2/20 0.49
ADORA2A P29274 1/20 0.49
ADORA2B P29275 1/20 0.49
MAPT P10636 4/20 0.48
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
MAPK8 P45983 1/20 0.46
CCNA2 P20248 1/20 0.46
CDK2 P24941 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL23443327 0.76 KDM4E (0.45) MEN1KMT2ATHRBPDE4APDE4B
SCHEMBL11485831 0.76 KDM4E (0.48) FEN1TP53MEN1KMT2AMAPT
SCHEMBL5872072 0.76 KDM4E (0.60) FEN1MEN1KMT2AMAPTPDE4A
SCHEMBL4551428 0.75 CMA1 (0.45) ADORA2AADORA2BMAPTPDE4APDE4B
SCHEMBL24390568 0.75 PDE10A (0.48) FEN1ADORA2AADORA2BPDE4APDE4B
SCHEMBL11160946 0.74 KDM4E (0.44) FEN1MEN1KMT2ATHRBADORA2A
SCHEMBL23410326 0.74 KDM4E (0.44) FEN1TP53MEN1KMT2ATHRB
SCHEMBL19009217 0.74 PTGER4 (0.57) TP53MEN1KMT2ARXFP1MAPT
SCHEMBL11486186 0.73 KDM4E (0.53) MEN1KMT2A
SCHEMBL30485670 0.73 PGR (0.68) TP53KMT2APDE4APDE4BPDE4C

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 FEN1 2027/4885TP53 3359/4885MEN1 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.