SCHEMBL562541

SCHEMBL562541

CCCCCn1c(=NNC(=O)CCc2nnc(-c3ccccc3)o2)[nH]c(=O)c2[nH]cnc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 7/20 0.43
▸ PDE4A P27815 2/20 0.41
▸ ADORA2A P29274 2/20 0.41
▸ PDE4B Q07343 2/20 0.41
▸ PDE4C Q08493 2/20 0.41
▸ PDE4D Q08499 2/20 0.41
▸ MAPT P10636 3/20 0.41
▸ KDM4E B2RXH2 3/20 0.41
▸ POLB P06746 2/20 0.40
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.39
▸ MEN1 O00255 3/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ PKM P14618 1/20 0.38
▸ ADORA2B P29275 2/20 0.38
▸ TSHR P16473 2/20 0.37

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
SCHEMBL562540 1.00 ALDH1A1 (0.43) ALDH1A1PDE4AADORA2APDE4BPDE4C
SCHEMBL16312217 0.82 PDE4A (0.42) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL563419 0.82 HDAC1 (0.43) ALDH1A1PDE4AADORA2APDE4BPDE4C
SCHEMBL563420 0.82 HDAC1 (0.43) ALDH1A1PDE4AADORA2APDE4BPDE4C
SCHEMBL10182604 0.81 PDE4A (0.53) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL563114 0.79 ADORA2A (0.42) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL563115 0.79 ADORA2A (0.42) PDE4AADORA2APDE4BPDE4CPDE4D
SCHEMBL562920 0.74 ADORA2A (0.47) ALDH1A1PDE4AADORA2APDE4BPDE4C
SCHEMBL562321 0.74 PDE4A (0.46) ALDH1A1PDE4AADORA2APDE4BPDE4C
SCHEMBL562322 0.74 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 9 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-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-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
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-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 ALDH1A1 641/4885PDE4A 158/4885ADORA2A 12/4885
US-20120035172-A1 Purinone Derivatives as HM74A Agonists GPR84, P2RY1, ADRA1A ALDH1A1 641/4885PDE4A 158/4885ADORA2A 12/4885
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A ALDH1A1 641/4885PDE4A 158/4885ADORA2A 12/4885
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 ALDH1A1 181/4885PDE4A 1160/4885ADORA2A 24/4885

“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.

Send feedback