SCHEMBL2529992

SCHEMBL2529992

CCCCCn1c2nc(Br)[nH]c2c(=O)n2c(CCNC(=O)c3ccnc(C)c3)nnc12

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 4/20 0.41
KDM4E B2RXH2 5/20 0.38
ADORA1 P30542 4/20 0.38
GAA P10253 4/20 0.38
HSD17B10 Q99714 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
GLA P06280 2/20 0.38
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
ADORA2A P29274 2/20 0.37
SMN1; SMN2 Q16637 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
Trifluoroacetic Acid SCHEMBL562338 0.95 TP53 (0.38) TP53KDM4EADORA1GAAHSD17B10
SCHEMBL2528392 0.90 NAAA (0.43) TP53KDM4EADORA1GAAHSD17B10
SCHEMBL563194 0.87 ADORA1 (0.47) TP53KDM4EADORA1GAAKMT2A
SCHEMBL562537 0.86 TP53 (0.43) TP53KDM4EADORA1GAAHSD17B10
SCHEMBL2523024 0.85 TP53 (0.40) TP53ADORA1KMT2AMEN1ALDH1A1
Trifluoroacetic Acid SCHEMBL563343 0.85 TP53 (0.40) TP53KDM4EADORA1KMT2AMEN1
SCHEMBL562278 0.84 MAPT (0.44) TP53KDM4EADORA1KMT2AMEN1
SCHEMBL2523046 0.84 SMN1; SMN2 (0.40) TP53KDM4EGAAHSD17B10KMT2A
Trifluoroacetic Acid SCHEMBL563520 0.81 TP53 (0.38) TP53KDM4EADORA1GAAKMT2A
SCHEMBL2523037 0.81 ADORA2A (0.35) TP53KDM4EADORA1GAAKMT2A

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 16 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-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-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
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

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 TP53 2735/4885KDM4E 3782/4885ADORA1 39/4885
US-20120035172-A1 Purinone Derivatives as HM74A Agonists GPR84, P2RY1, ADRA1A TP53 2735/4885KDM4E 3782/4885ADORA1 39/4885
US-20090286774-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A TP53 2735/4885KDM4E 3782/4885ADORA1 39/4885
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 TP53 3114/4885KDM4E 2319/4885ADORA1 50/4885

“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.