SCHEMBL3170200

SCHEMBL3170200

C=CCn1cnc2c1c(=O)n(C)c(=O)n2CCCCC

nearest known ligand 0.86

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 14/20 0.86
PDE4B Q07343 14/20 0.86
PDE4C Q08493 14/20 0.86
PDE4D Q08499 14/20 0.86
ADORA2A P29274 9/20 0.86
ADORA2B P29275 8/20 0.86

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
SCHEMBL3187308 0.97 PDE4A (0.86) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3179304 0.90 PDE4A (0.73) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11462320 0.87 PDE4A (0.74) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL24198811 0.83 PDE4A (0.84) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL316279 0.83 ADORA2B (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL1713323 0.82 PDE4A (0.66) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL1713301 0.81 MEN1 (0.71) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL21381260 0.80 ADORA2A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL10955032 0.80 ADORA2B (0.79) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL11466640 0.80 PDE4A (0.65) 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 32 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 disclosed
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
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-20090209561-A1 Xanthine Derivatives with HM74A Receptor Activity HATLEY RICHARD JONATHAN DANIEL 2009-08-20 US disclosed
US-20090209561-A1 Xanthine Derivatives with HM74A Receptor Activity HATLEY RICHARD JONATHAN DANIEL 2009-08-20 US disclosed
US-20090209561-A1 Xanthine Derivatives with HM74A Receptor Activity HATLEY RICHARD JONATHAN DANIEL 2009-08-20 US disclosed
EP-1805180-A1 XANTHINE DERIVATIVES WITH HM74A RECEPTOR ACTIVITY SmithKline Beecham Corporation (US) 2007-07-11 EP 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-2006045565-A1 XANTHINE DERIVATIVES WITH HM74A RECEPTOR ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-04 WO 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 679/4885PDE4B 1199/4885PDE4C 1489/4885
US-20150080418-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 PDE4A 408/4885PDE4B 592/4885PDE4C 850/4885
US-20090209561-A1 Xanthine Derivatives with HM74A Receptor Activity XDH, HCAR1, GPR84 PDE4A 417/4885PDE4B 787/4885PDE4C 1041/4885
US-20130150383-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 PDE4A 408/4885PDE4B 592/4885PDE4C 850/4885

“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.