SCHEMBL2525205

SCHEMBL2525205

CCCCCn1c2nc(Br)[nH]c2c(=O)n2c(CCc3nc(Cc4ccccc4OC)no3)nnc12

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
ADORA2B P29275 7/20 0.38
ADORA2A P29274 7/20 0.35
ADORA1 P30542 4/20 0.35
ADORA3 P0DMS8 2/20 0.35
ALDH1A1 P00352 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
APLNR P35414 3/20 0.35
LMNA P02545 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
GAA P10253 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33

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
SCHEMBL562882 0.90 ADORA2A (0.38) ADORA2BADORA2AADORA1ALDH1A1SMN1; SMN2
SCHEMBL563006 0.90 ALDH1A1 (0.36) ADORA2BADORA2AADORA1ADORA3ALDH1A1
SCHEMBL563016 0.90 PCK1 (0.39) ADORA2BADORA2AADORA1ALDH1A1SMN1; SMN2
SCHEMBL562035 0.89 ADORA2A (0.37) TSHRMAPK1TDP1ADORA2AALDH1A1
SCHEMBL562363 0.88 ADORA2B (0.49) MAPK1ADORA2BADORA2AADORA1ADORA3
SCHEMBL562025 0.88 PPARG (0.41) ADORA2AALDH1A1SMN1; SMN2APLNR
SCHEMBL10183600 0.88 ADORA2B (0.38) ADORA2BADORA2AADORA1ADORA3ALDH1A1
SCHEMBL562887 0.88 ALDH1A1 (0.43) ADORA2BADORA2AADORA1ALDH1A1SMN1; SMN2
SCHEMBL562270 0.87 PCK1 (0.41) ADORA2BADORA2AADORA1ADORA3ALDH1A1
SCHEMBL562302 0.87 ADORA2B (0.35) ADORA2BADORA2AADORA1ADORA3ALDH1A1

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-8039478-B2 Purinone derivatives as HM74A agonists INCYTE CORPORATION (US) 2011-10-18 US 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-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-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 TSHR 524/4885MAPK1 2786/4885TDP1 2109/4885
US-20120035172-A1 Purinone Derivatives as HM74A Agonists GPR84, P2RY1, ADRA1A TSHR 524/4885MAPK1 2786/4885TDP1 2109/4885
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A TSHR 524/4885MAPK1 2786/4885TDP1 2109/4885
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 TSHR 912/4885MAPK1 2804/4885TDP1 1211/4885

“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.