SCHEMBL4552885

SCHEMBL4552885

CCn1c(=O)n(C(C)(C)C)c(=O)c2nccnc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 6/20 0.40
ADORA2A P29274 5/20 0.39
ADORA2B P29275 5/20 0.39
PDE4A P27815 4/20 0.37
PDE4B Q07343 4/20 0.37
PDE4C Q08493 4/20 0.37
PDE4D Q08499 4/20 0.37
EEF2K O00418 1/20 0.33
HPD P32754 1/20 0.32
SIRT2 Q8IXJ6 1/20 0.31
SIRT1 Q96EB6 1/20 0.31
SIRT3 Q9NTG7 1/20 0.31
SIRT5 Q9NXA8 1/20 0.31
CDK4 P11802 1/20 0.31
CCND1 P24385 1/20 0.31
CCND2 P30279 1/20 0.31
CCND3 P30281 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL4547803 0.82 TNF (0.33) TNF
SCHEMBL22016241 0.79 TNF (0.43) TNFADORA2AADORA2BPDE4APDE4B
SCHEMBL12110866 0.67 GSK3A (0.37) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL4547799 0.65 SMN1; SMN2 (0.39) ADORA2APDE4AKDM4EALDH1A1CYP3A4
SCHEMBL14392306 0.64 ALDH1A1 (0.46) EEF2KHPDKDM4EALDH1A1CYP1A2
SCHEMBL24961296 0.63 GSK3B (0.39) HPDKDM4EALDH1A1
SCHEMBL22016242 0.62 GRM4 (0.44) ADORA2AHPDKDM4EALDH1A1HPGD
SCHEMBL4552886 0.62 FEN1 (0.51) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL22017499 0.62 LMNA (0.39) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL5465654 0.61 ALDH1A1 (0.59) TNFADORA2AADORA2BPDE4APDE4B

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 TNF 3006/4885ADORA2A 4651/4885ADORA2B 4158/4885

“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.