SCHEMBL3177969

SCHEMBL3177969

Cn1c(=O)c2[nH]c(Cl)nc2n(CCCC#N)c1=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE1A P54750 3/20 0.46
PDE1B Q01064 3/20 0.46
PDE1C Q14123 3/20 0.46
PDE2A O00408 2/20 0.46
PDE5A O76074 2/20 0.43
CYP1A2 P05177 2/20 0.42
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
TSHR P16473 1/20 0.42
CYP2C19 P33261 1/20 0.42
BLM P54132 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM5 P08912 1/20 0.41
ADRA2A P08913 1/20 0.41
CYP2D6 P10635 1/20 0.41
CHRM1 P11229 1/20 0.41

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
SCHEMBL836838 0.88 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL836548 0.84 ADORA2B (0.46) PDE4APDE4BPDE4CPDE4D
SCHEMBL836319 0.84 PDE4A (0.46) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3175131 0.84 PDE4A (0.57) PDE1APDE1BPDE1CPDE2ACYP1A2
SCHEMBL3177989 0.83 PDE4A (0.52) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL13248107 0.83 PDE4A (0.45) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL3177656 0.82 PDE4A (0.51) PDE5ACYP1A2CYP2C19PDE4APDE4B
SCHEMBL3175170 0.81 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL19583228 0.80 PDE1A (0.56) PDE1APDE1BPDE1CPDE2APDE5A
SCHEMBL1808708 0.80 PDE1A (0.48) PDE1APDE1BPDE1CPDE2APDE5A

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 PDE1A 2269/4885PDE1B 3441/4885PDE1C 3858/4885
US-20150080418-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 PDE1A 1182/4885PDE1B 1598/4885PDE1C 2095/4885
US-20130150383-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 PDE1A 1182/4885PDE1B 1598/4885PDE1C 2095/4885
US-20100010021-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 PDE1A 1182/4885PDE1B 1598/4885PDE1C 2095/4885

“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.