SCHEMBL563419

SCHEMBL563419

CCCCCn1/c(=N/NC(=O)CCCc2nc(-c3ccccc3)no2)[nH]c(=O)c2[nH]cnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 5/20 0.43
▸ HDAC2 Q92769 5/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ LMNA P02545 5/20 0.41
▸ PDE4A P27815 1/20 0.40
▸ ADORA2A P29274 1/20 0.40
▸ PDE4B Q07343 1/20 0.40
▸ PDE4C Q08493 1/20 0.40
▸ PDE4D Q08499 1/20 0.40
▸ HTT P42858 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ RAB9A P51151 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GAA P10253 1/20 0.39

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
SCHEMBL563420 1.00 HDAC1 (0.43) HDAC1HDAC2HDAC8ALDH1A1LMNA
SCHEMBL562540 0.82 ALDH1A1 (0.43) ALDH1A1LMNAPDE4AADORA2APDE4B
SCHEMBL562541 0.82 ALDH1A1 (0.43) ALDH1A1LMNAPDE4AADORA2APDE4B
SCHEMBL10182604 0.80 PDE4A (0.53) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL563115 0.79 ADORA2A (0.42) HDAC1HDAC2HDAC8PDE4AADORA2A
SCHEMBL563114 0.79 ADORA2A (0.42) HDAC1HDAC2HDAC8PDE4AADORA2A
SCHEMBL16312217 0.79 PDE4A (0.42) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL562535 0.75 ADORA2A (0.45) ALDH1A1LMNAPDE4AADORA2APDE4B
SCHEMBL562321 0.73 PDE4A (0.46) ALDH1A1PDE4AADORA2APDE4BPDE4C
SCHEMBL562322 0.73 PDE4A (0.46) ALDH1A1PDE4AADORA2APDE4BPDE4C

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 21 patents — showing the first 20. 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
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
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 HDAC1 4102/4885HDAC2 3753/4885HDAC8 3710/4885
US-20120035172-A1 Purinone Derivatives as HM74A Agonists GPR84, P2RY1, ADRA1A HDAC1 4102/4885HDAC2 3753/4885HDAC8 3710/4885
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A HDAC1 4102/4885HDAC2 3753/4885HDAC8 3710/4885
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 HDAC1 1600/4885HDAC2 1994/4885HDAC8 2398/4885

“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.

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