SCHEMBL562575

SCHEMBL562575

CCCCCn1c2cc(Br)[nH]c2c(=O)n2c(CCc3nc(Cc4cccc(C(F)(F)F)c4)no3)nnc12

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 8/20 0.42
KMT2A Q03164 8/20 0.42
ADORA2B P29275 5/20 0.37
ALDH1A1 P00352 2/20 0.37
HTT P42858 1/20 0.37
ADORA2A P29274 4/20 0.36
ADORA3 P0DMS8 4/20 0.36
ADORA1 P30542 3/20 0.36
PPARG P37231 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
SSTR1 P30872 1/20 0.35
SSTR4 P31391 1/20 0.35
SSTR3 P32745 1/20 0.35
PLK4 O00444 1/20 0.34
CDK2 P24941 1/20 0.34
IRAK1 P51617 1/20 0.34
RPS6KA3 P51812 1/20 0.34
PLK3 Q9H4B4 1/20 0.34
CSNK1G3 Q9Y6M4 1/20 0.34

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
SCHEMBL562968 0.92 ADORA2A (0.37) MEN1KMT2AADORA2BALDH1A1ADORA2A
SCHEMBL562583 0.90 ADORA2A (0.40) ADORA2BALDH1A1ADORA2AADORA3ADORA1
SCHEMBL10183558 0.90 MEN1 (0.40) MEN1KMT2AADORA2BALDH1A1HTT
SCHEMBL562075 0.88 ADORA2A (0.36) ADORA2BADORA2AADORA3ADORA1PPARG
SCHEMBL561833 0.87 ADORA2A (0.36) ADORA2BALDH1A1ADORA2AADORA3ADORA1
SCHEMBL563438 0.86 PPARG (0.40) ALDH1A1ADORA2APPARG
SCHEMBL561751 0.84 ADORA2A (0.38) MEN1KMT2AADORA2BHTTADORA2A
SCHEMBL562891 0.84 ADORA2A (0.41) ALDH1A1ADORA2A
SCHEMBL2527271 0.83 MEN1 (0.42) MEN1KMT2AADORA2BALDH1A1HTT
SCHEMBL562139 0.82 ADORA2A (0.37) ADORA2BALDH1A1ADORA2APPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2009-11-19 US claimed
EP-2044074-A2 PURINONE DERIVATIVES AS HM74A AGONISTS Incyte Corporation (US) 2009-04-08 EP claimed
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 claimed
WO-2007150025-A2 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2007-12-27 WO claimed
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-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 MEN1 1825/4885KMT2A 1601/4885ADORA2B 68/4885
US-20120035172-A1 Purinone Derivatives as HM74A Agonists GPR84, P2RY1, ADRA1A MEN1 1825/4885KMT2A 1601/4885ADORA2B 68/4885
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A MEN1 1825/4885KMT2A 1601/4885ADORA2B 68/4885
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 MEN1 2810/4885KMT2A 1240/4885ADORA2B 177/4885

“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.