SCHEMBL7597430

SCHEMBL7597430

C=CCn1c(=O)n(CC=CO)c(=O)c2[nH]cnc21

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 0.82
ADORA2A P29274 9/20 0.82
PDE4A P27815 10/20 0.69
PDE4B Q07343 10/20 0.69
PDE4C Q08493 10/20 0.69
PDE4D Q08499 10/20 0.69
ADORA3 P0DMS8 1/20 0.50

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
SCHEMBL516503 0.91 ADORA2B (1.00) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL11073850 0.80 ADORA2B (0.78) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL9429985 0.80 PDE4A (0.85) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL4623640 0.79 ADORA2A (0.76) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL11455885 0.77 ADORA2B (0.69) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL11665017 0.77 ADORA2B (0.72) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL7597424 0.76 ADORA2A (0.67) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL10647729 0.73 ADORA2B (0.61) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL941660 0.70 ADORA2B (0.70) ADORA2BADORA2APDE4APDE4BPDE4C
SCHEMBL5134359 0.70 ADORA2A (0.66) ADORA2BADORA2APDE4APDE4BPDE4C

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-20020010333-A1 Use of xanthine derivatives for reducing the pathological hyperreactivity of eosinophilic granulocytes, novel xanthine compounds and process for their preparation HOECHST AKTIENGESELLSCHAFT 2002-01-24 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-20020010333-A1 Use of xanthine derivatives for reducing the pathological hyperreactivity of eosinophilic granulocytes, novel xanthine compounds and process for their preparation EPX, XDH, MPO ADORA2B 163/4885ADORA2A 112/4885PDE4A 74/4885

“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.