SCHEMBL3178085

SCHEMBL3178085

CCCCn1c(=O)[nH]c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.58
PDE4A P27815 3/20 0.58
PDE4B Q07343 3/20 0.58
PDE4C Q08493 3/20 0.58
PDE4D Q08499 3/20 0.58
ADORA2B P29275 5/20 0.50
ADORA1 P30542 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
BRD4 O60885 1/20 0.49
BRD2 P25440 1/20 0.49
BRD3 Q15059 1/20 0.49
BRDT Q58F21 1/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.49
ADORA3 P0DMS8 1/20 0.47
HPGD P15428 1/20 0.47
BLM P54132 1/20 0.47
PDE3A Q14432 1/20 0.47

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
SCHEMBL2473169 0.96 ADORA2A (0.53) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL3170806 0.94 ADORA2A (0.52) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL3170224 0.94 ADORA2A (0.52) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL3188565 0.94 ADORA2A (0.52) ADORA2APDE4APDE4BPDE4CPDE4D
Water SCHEMBL19583233 0.94 ADORA2A (0.52) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL15026860 0.94 ADORA2A (0.52) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL3180528 0.91 ADORA2A (0.59) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL2524674 0.86 ADORA2A (0.45) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL2524110 0.86 ADORA2A (0.45) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL2472434 0.85 ADORA2A (0.44) ADORA2APDE4APDE4BPDE4CPDE4D

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 45 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3251675-B1 PREVENTION OR TREATMENT OF URIC ACID OR GOUT DISEASE SHANTON PHARMA PTE LTD (SG) 2021-04-21 EP claimed
US-10322132-B2 Prevention or treatment of uratic or gouty diseases SHANTON PHARMA CO., LTD (CN) 2019-06-18 US claimed
EP-3251675-A1 PREVENTION OR TREATMENT OF URIC ACID OR GOUT DISEASE Shanton Pharma Co., Ltd. (CN) 2017-12-06 EP claimed
US-20170326148-A1 PREVENTION OR TREATMENT OF URIC ACID OR GOUT DISEASE Shanton Pharma Pte. Ltd. (SG) 2017-11-16 US claimed
US-20150080418-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2015-03-19 US claimed
US-20130150383-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-13 US claimed
US-8394808-B2 HM74 receptor agonists:xanthine derivatives, corresponding pharmaceutical compositions, treatment methods and processes GLAXOSMITHKLINE LLC (US) 2013-03-12 US claimed
US-20100010021-A1 NOVEL COMPOUNDS GLAXO GROUP LIMITED 2010-01-14 US claimed
EP-3251675-B1 PREVENTION OR TREATMENT OF URIC ACID OR GOUT DISEASE SHANTON PHARMA PTE LTD (SG) 2021-04-21 EP disclosed
EP-3251675-B1 PREVENTION OR TREATMENT OF URIC ACID OR GOUT DISEASE SHANTON PHARMA PTE LTD (SG) 2021-04-21 EP disclosed
US-10322132-B2 Prevention or treatment of uratic or gouty diseases SHANTON PHARMA CO., LTD (CN) 2019-06-18 US disclosed
US-10322132-B2 Prevention or treatment of uratic or gouty diseases SHANTON PHARMA CO., LTD (CN) 2019-06-18 US disclosed
EP-3251675-A1 PREVENTION OR TREATMENT OF URIC ACID OR GOUT DISEASE Shanton Pharma Co., Ltd. (CN) 2017-12-06 EP disclosed
EP-3251675-A1 PREVENTION OR TREATMENT OF URIC ACID OR GOUT DISEASE Shanton Pharma Co., Ltd. (CN) 2017-12-06 EP disclosed
US-20070135456-A1 Medicaments with hm74a receptor activity GLAXOSMITHKLINE LLC 2007-06-14 US disclosed
EP-1781657-A2 MEDICAMENTS WITH HM74A RECEPTOR ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2007-05-09 EP disclosed
WO-2005077950-A2 MEDICAMENTS WITH HM74A RECEPTOR ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 WO disclosed
EP-1030666-A4 NOVEL USE OF COMPOUNDS FOR ANTI-PRURITIC ACTIVITY SMITHKLINE BEECHAM (US) 2002-10-16 EP disclosed
EP-1030666-A1 NOVEL USE OF COMPOUNDS FOR ANTI-PRURITIC ACTIVITY Smithkline Beecham (US) 2000-08-30 EP disclosed
WO-1999020280-A1 NOVEL USE OF COMPOUNDS FOR ANTI-PRURITIC ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 1999-04-29 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 (6 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-20070135456-A1 Medicaments with hm74a receptor activity HCAR1, GPR84, HCAR3 ADORA2A 12/4885PDE4A 679/4885PDE4B 1199/4885
US-20150080418-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 ADORA2A 8/4885PDE4A 408/4885PDE4B 592/4885
US-20170326148-A1 PREVENTION OR TREATMENT OF URIC ACID OR GOUT DISEASE NLRP3, REN, SLC5A1 ADORA2A 2329/4885PDE4A 3392/4885PDE4B 3496/4885
US-20130150383-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 ADORA2A 8/4885PDE4A 408/4885PDE4B 592/4885
US-10322132-B2 Prevention or treatment of uratic or gouty diseases REN, NLRP3, SLC5A1 ADORA2A 2737/4885PDE4A 3590/4885PDE4B 3708/4885
US-20100010021-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 ADORA2A 8/4885PDE4A 408/4885PDE4B 592/4885

“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.