SCHEMBL3170346

SCHEMBL3170346

CCCn1c(=O)c2[nH]c(Cl)nc2n(CC(F)(F)F)c1=O

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SIRT1 Q96EB6 1/20 0.54
SIRT3 Q9NTG7 1/20 0.54
SIRT5 Q9NXA8 1/20 0.54
ADORA1 P30542 5/20 0.51

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
SCHEMBL3177910 0.90 SIRT1 (0.51) SIRT1SIRT3SIRT5ADORA1
SCHEMBL13247871 0.87 PDE4A (0.46) SIRT1SIRT3SIRT5ADORA1
SCHEMBL3183629 0.86 ADORA1 (0.39) SIRT1SIRT3SIRT5ADORA1
SCHEMBL7031457 0.81 SIRT1 (0.55) SIRT1SIRT3SIRT5ADORA1
SCHEMBL3175170 0.81 PDE4A (0.55) SIRT1SIRT3SIRT5
SCHEMBL3180024 0.80 ADORA1 (0.42) SIRT1SIRT3SIRT5ADORA1
SCHEMBL3119443 0.80 SIRT1 (0.54) SIRT1SIRT3SIRT5ADORA1
SCHEMBL13247926 0.79 ADORA2B (0.53) SIRT1SIRT3SIRT5ADORA1
SCHEMBL13247927 0.79 ADORA2B (0.53) SIRT1SIRT3SIRT5ADORA1
SCHEMBL3178146 0.78 ADORA2A (0.60) SIRT1SIRT3SIRT5ADORA1

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 SIRT1 3114/4885SIRT3 3361/4885SIRT5 3533/4885
US-20150080418-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 SIRT1 1361/4885SIRT3 2669/4885SIRT5 2203/4885
US-20130150383-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 SIRT1 1361/4885SIRT3 2669/4885SIRT5 2203/4885
US-20100010021-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 SIRT1 1361/4885SIRT3 2669/4885SIRT5 2203/4885

“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.