SCHEMBL7597424

SCHEMBL7597424

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.67
ADORA2B P29275 11/20 0.67
PDE4A P27815 11/20 0.57
PDE4B Q07343 11/20 0.57
PDE4C Q08493 11/20 0.57
PDE4D Q08499 11/20 0.57
ADORA3 P0DMS8 1/20 0.46
PDE2A O00408 2/20 0.42
PDE1A P54750 2/20 0.42
PDE1B Q01064 2/20 0.42
PDE1C Q14123 2/20 0.42
PDE5A O76074 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CFTR P13569 1/20 0.42
TSHR P16473 1/20 0.42
MAPK1 P28482 1/20 0.42
ADORA1 P30542 1/20 0.42
SCN1A P35498 1/20 0.42
PDE6C P51160 1/20 0.42

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 0.81 ADORA2B (1.00) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL4623640 0.78 ADORA2A (0.76) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL7597430 0.76 ADORA2B (0.82) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL11455885 0.76 ADORA2B (0.69) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL11073850 0.73 ADORA2B (0.78) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL9429985 0.71 PDE4A (0.85) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL11665017 0.71 ADORA2B (0.72) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL941656 0.69 ADORA2B (0.55) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL5134359 0.69 ADORA2A (0.66) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL5613154 0.68 CYP3A4 (0.39) ADORA2AADORA2BCYP1A2CYP3A4TSHR

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 ADORA2A 112/4885ADORA2B 163/4885PDE4A 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.