SCHEMBL3108328

SCHEMBL3108328

CCCCn1c(=O)n(CCCc2ccccc2)c(=O)c2[nH]cnc21

nearest known ligand 0.83

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 9/20 0.78
▸ ADORA3 P0DMS8 3/20 0.78
▸ PDE4A P27815 12/20 0.73
▸ PDE4B Q07343 12/20 0.73
▸ PDE4C Q08493 12/20 0.73
▸ PDE4D Q08499 12/20 0.73
▸ ADORA2A P29274 7/20 0.73

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
SCHEMBL7738361 0.91 PDE4A (0.73) ADORA2BADORA3PDE4APDE4BPDE4C
SCHEMBL3106585 0.89 ADORA2B (0.73) ADORA2BADORA3PDE4APDE4BPDE4C
SCHEMBL3116806 0.88 ADORA2B (1.00) ADORA2BADORA3PDE4APDE4BPDE4C
SCHEMBL3186630 0.87 PDE4A (0.94) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL11361392 0.86 PDE4A (0.91) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL10576802 0.85 ADORA2B (0.77) ADORA2BADORA3PDE4APDE4BPDE4C
SCHEMBL21381259 0.85 PDE4A (1.00) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL21381240 0.85 ADORA2B (0.94) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL3842077 0.85 PDE4A (1.00) ADORA2BPDE4APDE4BPDE4CPDE4D
SCHEMBL3115007 0.84 PDE4A (0.70) ADORA2BADORA3PDE4APDE4BPDE4C

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 — — US disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 — — US disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 — — US disclosed
EP-1912992-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SmithKline Beecham Corporation (US) 2008-04-23 — — EP disclosed
WO-2007017262-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2007-02-15 — — WO 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-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 ADORA2B 111/4885ADORA3 61/4885PDE4A 315/4885

“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.

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