SCHEMBL561996

SCHEMBL561996

CCCCCn1c2nc[nH]c2c(=O)n2c(C)nnc12

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.64
ADORA2B P29275 7/20 0.63
PDE4A P27815 10/20 0.56
PDE4B Q07343 10/20 0.56
PDE4C Q08493 10/20 0.56
PDE4D Q08499 10/20 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
SCHEMBL562941 0.88 ADORA2B (0.63) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL10184866 0.85 ADORA2B (0.59) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL562556 0.85 ADORA2B (0.59) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL563329 0.85 ADORA2B (0.59) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL562813 0.84 ADORA2B (0.56) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL563241 0.84 ADORA2B (0.58) ADORA2AADORA2BPDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL562533 0.84 ADORA2B (0.58) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL561893 0.84 ADORA2B (0.58) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL562577 0.83 ADORA2B (0.57) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL562757 0.83 ADORA2B (0.57) ADORA2AADORA2BPDE4APDE4BPDE4C

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140371216-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2014-12-18 US disclosed
US-20140371216-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2014-12-18 US disclosed
US-8703783-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2014-04-22 US disclosed
US-8703783-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2014-04-22 US disclosed
US-20120035172-A1 Purinone Derivatives as HM74A Agonists INCYTE CORPORATION (US) 2012-02-09 US disclosed
US-20120035172-A1 Purinone Derivatives as HM74A Agonists INCYTE CORPORATION (US) 2012-02-09 US disclosed
US-8039478-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-10-18 US disclosed
US-8039478-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-10-18 US disclosed
US-8039478-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-10-18 US disclosed
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2009-11-19 US disclosed
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2009-11-19 US disclosed
EP-2044074-A2 PURINONE DERIVATIVES AS HM74A AGONISTS Incyte Corporation (US) 2009-04-08 EP disclosed
US-7511050-B2 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders INCYTE CORPORATION (US) 2009-03-31 US disclosed
US-7511050-B2 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders INCYTE CORPORATION (US) 2009-03-31 US disclosed
US-7511050-B2 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders INCYTE CORPORATION (US) 2009-03-31 US disclosed
US-20080045554-A1 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders INCYTE CORPORATION (US) 2008-02-21 US disclosed
US-20080045554-A1 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders INCYTE CORPORATION (US) 2008-02-21 US disclosed
US-20080045554-A1 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders INCYTE CORPORATION (US) 2008-02-21 US disclosed
WO-2007150025-A2 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2007-12-27 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-20140371216-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A ADORA2A 12/4885ADORA2B 68/4885PDE4A 158/4885
US-20120035172-A1 Purinone Derivatives as HM74A Agonists GPR84, P2RY1, ADRA1A ADORA2A 12/4885ADORA2B 68/4885PDE4A 158/4885
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A ADORA2A 12/4885ADORA2B 68/4885PDE4A 158/4885
US-20080045554-A1 hydroxymethylglutaryl-coenzyme A (HMG-CoA) reductase inhibitors; avoiding adverse effects such as hepatotoxicity and cutaneous flushing; low dosage; 2-bromo-8-methyl-4-pentyl-1,4-dihydro-5H-[1,2,4]triazolo[5,1-i]purin-5-one; to treat cardiovascular disorders HMGCR, LDLR, GPBAR1 ADORA2A 24/4885ADORA2B 177/4885PDE4A 1160/4885

“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.