SCHEMBL3115007

SCHEMBL3115007

CCCCn1c(=O)n(CCOc2ccccc2)c(=O)c2[nH]cnc21

nearest known ligand 0.73

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 14/20 0.70
▸ PDE4B Q07343 14/20 0.70
▸ PDE4C Q08493 14/20 0.70
▸ PDE4D Q08499 14/20 0.70
▸ ADORA2A P29274 9/20 0.70
▸ ADORA2B P29275 9/20 0.68
▸ ADORA3 P0DMS8 1/20 0.56

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
SCHEMBL7603135 0.86 ADORA2B (0.70) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3186630 0.85 PDE4A (0.94) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11361392 0.84 PDE4A (0.91) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7738361 0.84 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3108328 0.84 ADORA2B (0.78) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21381259 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21381240 0.83 ADORA2B (0.94) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3842077 0.83 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3106585 0.82 ADORA2B (0.73) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7602652 0.82 PDE4A (0.90) PDE4APDE4BPDE4CPDE4DADORA2A

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 PDE4A 315/4885PDE4B 578/4885PDE4C 782/4885

“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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