SCHEMBL10239343

SCHEMBL10239343

Cn1c(=O)c2c(ncn2CC(=O)O)n(CCN)c1=O

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 10/20 0.71
PDE4A P27815 13/20 0.64
PDE4B Q07343 13/20 0.64
PDE4C Q08493 13/20 0.64
PDE4D Q08499 13/20 0.64
ADORA2A P29274 8/20 0.58
SMN1; SMN2 Q16637 1/20 0.53
TRPA1 O75762 1/20 0.53

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
SCHEMBL10178116 0.88 PDE4A (0.81) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL10178196 0.85 ADORA2B (0.68) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL10178241 0.84 PDE4A (0.61) ADORA2BPDE4APDE4BPDE4CPDE4D
Acefylline SCHEMBL308514 0.84 ADORA2B (1.00) ADORA2BSMN1; SMN2
Acefylline SCHEMBL18191994 0.84 ADORA2B (1.00) ADORA2BSMN1; SMN2
Acefylline SCHEMBL8402147 0.82 ADORA2B (0.97) ADORA2BSMN1; SMN2
Acefylline SCHEMBL1173152 0.82 ADORA2B (0.89) ADORA2BPDE4APDE4BPDE4CPDE4D
Acefylline SCHEMBL17204841 0.79 ADORA2B (0.84) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL29393229 0.78 PDE4A (1.00) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL10178114 0.78 ADORA2B (0.73) ADORA2BPDE4APDE4BPDE4CPDE4D

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-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 US disclosed
US-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS ELI LILLY AND COMPANY 2012-02-23 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-20120046305-A1 METHODS AND COMPOSITIONS FOR TREATING RESPIRATORY DISORDERS TRPA1, TRPV1, TRPV3 ADORA2B 97/4885PDE4A 1161/4885PDE4B 1221/4885

“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.