SCHEMBL4551431

SCHEMBL4551431

CCn1c(=O)c2ccncc2n(CC)c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5A P29375 1/20 0.58
MAPK8 P45983 1/20 0.45
ADORA2A P29274 3/20 0.44
ADORA3 P0DMS8 1/20 0.44
ADORA1 P30542 1/20 0.44
CMA1 P23946 1/20 0.43
GABRA5 P31644 1/20 0.42
PGR P06401 1/20 0.42
METAP2 P50579 4/20 0.41
ADORA2B P29275 1/20 0.41
ROCK2 O75116 3/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
GFER P55789 1/20 0.39
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 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
SCHEMBL4551429 0.87 KDM5A (0.48) KDM5AMAPK8ADORA2AADORA3ADORA1
SCHEMBL6362477 0.75 PGR (0.68) MAPK8PGRKMT2AKDM4EALDH1A1
SCHEMBL30485670 0.75 PGR (0.68) MAPK8PGRKMT2AKDM4EALDH1A1
SCHEMBL12060489 0.75 KDM5A (0.46) KDM5AGABRA5KDM4EALDH1A1GAA
SCHEMBL2220005 0.72 ALDH1A1 (0.55) KDM5AROCK2KMT2AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL3842265 0.71 KDM5A (0.49) KDM5AADORA2AADORA3ROCK2KDM4E
SCHEMBL17434540 0.71 ADORA2A (0.45) MAPK8ADORA2AMETAP2ADORA2BKMT2A
SCHEMBL13819107 0.70 ADORA3 (0.53) KDM5AADORA2AADORA3ADORA1ALDH1A1
SCHEMBL21676745 0.69 DYRK1A (0.43) KDM5AADORA2AADORA3ADORA1GABRA5
SCHEMBL19271310 0.69 ROCK2 (0.47) KDM5AMETAP2ROCK2

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 KDM5A 745/4885MAPK8 3561/4885ADORA2A 4651/4885

“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.