SCHEMBL563298

SCHEMBL563298

CCCCCn1c2cc(Br)[nH]c2c(=O)n2c(CCC(=O)N3CCCC3)nnc12

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 3/20 0.42
ADORA2A P29274 5/20 0.42
THRB P10828 2/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL2521394 0.84 RXFP1 (0.40) RXFP1ADORA2ATHRBPOLBMAPT
SCHEMBL2525498 0.77 RXFP1 (0.41) RXFP1ADORA2ATHRBPOLBTP53
SCHEMBL21530708 0.77 ADORA2A (0.65) ADORA2APOLBALDH1A1HPGD
SCHEMBL563424 0.77 RXFP1 (0.39) RXFP1ADORA2ATHRBPOLBMAPT
SCHEMBL562891 0.75 ADORA2A (0.41) ADORA2AALDH1A1
SCHEMBL561771 0.71 ADORA2A (0.38) ADORA2AALDH1A1
SCHEMBL563438 0.70 PPARG (0.40) ADORA2AALDH1A1
SCHEMBL562181 0.70 ADORA2A (0.41) ADORA2AKDM4EALDH1A1
SCHEMBL2521399 0.69 ADORA2A (0.40) ADORA2AALDH1A1
SCHEMBL561751 0.69 ADORA2A (0.38) RXFP1ADORA2APOLBMAPTL3MBTL1

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 RXFP1 309/4885ADORA2A 12/4885THRB 376/4885
US-20120035172-A1 Purinone Derivatives as HM74A Agonists GPR84, P2RY1, ADRA1A RXFP1 309/4885ADORA2A 12/4885THRB 376/4885
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A RXFP1 309/4885ADORA2A 12/4885THRB 376/4885
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 RXFP1 726/4885ADORA2A 24/4885THRB 322/4885

“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.