SCHEMBL3177656

SCHEMBL3177656

CCCCCCn1c(=O)n(C)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.51
ADORA2A P29274 1/20 0.51
PDE4B Q07343 1/20 0.51
PDE4C Q08493 1/20 0.51
PDE4D Q08499 1/20 0.51
ADORA2B P29275 1/20 0.48
PDE5A O76074 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
RECQL P46063 1/20 0.46
ADORA1 P30542 1/20 0.46

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
SCHEMBL3177989 0.99 PDE4A (0.52) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL3175131 0.94 PDE4A (0.57) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL13247927 0.89 ADORA2B (0.53) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL13247926 0.89 ADORA2B (0.53) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL3175170 0.89 PDE4A (0.55) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL3119443 0.87 SIRT1 (0.54) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL7031457 0.86 SIRT1 (0.55) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL3117132 0.86 ADORA2B (0.51) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL3116013 0.85 ADORA2B (0.47) ADORA2AADORA2BADORA1
SCHEMBL3181178 0.84 ADORA2A (0.54) PDE4AADORA2APDE4BPDE4CPDE4D

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150080418-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2015-03-19 US claimed
US-20130150383-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-13 US claimed
US-8394808-B2 HM74 receptor agonists:xanthine derivatives, corresponding pharmaceutical compositions, treatment methods and processes GLAXOSMITHKLINE LLC (US) 2013-03-12 US claimed
US-20100010021-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2010-01-14 US claimed
US-20150080418-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2015-03-19 US disclosed
US-20150080418-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2015-03-19 US disclosed
US-20130150383-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-13 US disclosed
US-20130150383-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-13 US disclosed
EP-1781657-B1 MEDICAMENTS WITH HM74A RECEPTOR ACTIVITY GLAXOSMITHKLINE IP DEV LTD (GB) 2013-03-27 EP disclosed
US-8394808-B2 HM74 receptor agonists:xanthine derivatives, corresponding pharmaceutical compositions, treatment methods and processes GLAXOSMITHKLINE LLC (US) 2013-03-12 US disclosed
US-8394808-B2 HM74 receptor agonists:xanthine derivatives, corresponding pharmaceutical compositions, treatment methods and processes GLAXOSMITHKLINE LLC (US) 2013-03-12 US disclosed
US-8394808-B2 HM74 receptor agonists:xanthine derivatives, corresponding pharmaceutical compositions, treatment methods and processes GLAXOSMITHKLINE LLC (US) 2013-03-12 US disclosed
US-20100010021-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2010-01-14 US disclosed
US-20100010021-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2010-01-14 US disclosed
US-20100010021-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2010-01-14 US disclosed
US-20070135456-A1 Medicaments with hm74a receptor activity GLAXOSMITHKLINE LLC 2007-06-14 US disclosed
US-20070135456-A1 Medicaments with hm74a receptor activity GLAXOSMITHKLINE LLC 2007-06-14 US disclosed
US-20070135456-A1 Medicaments with hm74a receptor activity GLAXOSMITHKLINE LLC 2007-06-14 US disclosed
EP-1781657-A2 MEDICAMENTS WITH HM74A RECEPTOR ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-09 EP disclosed
WO-2005077950-A2 MEDICAMENTS WITH HM74A RECEPTOR ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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 (4 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-20070135456-A1 Medicaments with hm74a receptor activity HCAR1, GPR84, HCAR3 PDE4A 679/4885ADORA2A 12/4885PDE4B 1199/4885
US-20150080418-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 PDE4A 408/4885ADORA2A 8/4885PDE4B 592/4885
US-20130150383-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 PDE4A 408/4885ADORA2A 8/4885PDE4B 592/4885
US-20100010021-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 PDE4A 408/4885ADORA2A 8/4885PDE4B 592/4885

“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.