SCHEMBL1713301

SCHEMBL1713301

C=CCn1cnc2c1c(=O)[nH]c(=O)n2CCCCC

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.71
KMT2A Q03164 3/20 0.71
ALDH1A1 P00352 2/20 0.71
BRD4 O60885 4/20 0.70
BRD2 P25440 2/20 0.70
BRD3 Q15059 2/20 0.70
BRDT Q58F21 2/20 0.70
PDE4A P27815 7/20 0.66
ADORA2A P29274 7/20 0.66
PDE4B Q07343 7/20 0.66
PDE4C Q08493 7/20 0.66
PDE4D Q08499 7/20 0.66
ADORA2B P29275 3/20 0.57
MAPK1 P28482 1/20 0.48
HTT P42858 1/20 0.48
HSD17B10 Q99714 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.44
POLB P06746 1/20 0.44

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
SCHEMBL836619 0.96 MEN1 (0.77) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL9055277 0.86 PDE4A (0.61) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL11399596 0.86 MEN1 (0.95) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL7519416 0.85 PDE4A (0.56) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL7457891 0.83 MEN1 (1.00) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL19066317 0.82 BRD4 (1.00) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL27552709 0.82 MEN1 (0.73) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL5174205 0.81 ADORA2B (0.51) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL9010501 0.81 ADORA2B (0.62) MEN1KMT2AALDH1A1BRD4BRD2
SCHEMBL3170200 0.81 PDE4A (0.86) PDE4AADORA2APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20170326148-A1 PREVENTION OR TREATMENT OF URIC ACID OR GOUT DISEASE Shanton Pharma Pte. Ltd. (SG) 2017-11-16 US disclosed
US-20170326148-A1 PREVENTION OR TREATMENT OF URIC ACID OR GOUT DISEASE Shanton Pharma Pte. Ltd. (SG) 2017-11-16 US disclosed
WO-2016119570-A1 PREVENTION OR TREATMENT OF URIC ACID OR GOUT DISEASE 上海珊顿医药科技有限公司 2016-08-04 WO disclosed
US-20150080418-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2015-03-19 US disclosed
US-20150080418-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2015-03-19 US disclosed
US-20150080418-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2015-03-19 US disclosed
US-20130150383-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-13 US disclosed
US-20130150383-A1 NOVEL COMPOUNDS GLAXOSMITHKLINE LLC (US) 2013-06-13 US disclosed
US-20080045555-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2008-02-21 US disclosed
US-20080045555-A1 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2008-02-21 US disclosed
WO-2007150026-A2 PURINONE DERIVATIVES AS HM74A AGONISTS INCYTE CORPORATION (US) 2007-12-27 WO disclosed
EP-1805180-A1 XANTHINE DERIVATIVES WITH HM74A RECEPTOR ACTIVITY SmithKline Beecham Corporation (US) 2007-07-11 EP disclosed
US-20070135456-A1 Medicaments with hm74a receptor activity GLAXOSMITHKLINE LLC 2007-06-14 US disclosed
US-20070135456-A1 Medicaments with hm74a receptor activity GLAXOSMITHKLINE LLC 2007-06-14 US 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-2006045565-A1 XANTHINE DERIVATIVES WITH HM74A RECEPTOR ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2006-05-04 WO disclosed
WO-2005077950-A2 MEDICAMENTS WITH HM74A RECEPTOR ACTIVITY SMITHKLINE BEECHAM CORPORATION (US) 2005-08-25 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 MEN1 1560/4885KMT2A 2484/4885ALDH1A1 1397/4885
US-20150080418-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 MEN1 3009/4885KMT2A 3023/4885ALDH1A1 305/4885
US-20170326148-A1 PREVENTION OR TREATMENT OF URIC ACID OR GOUT DISEASE NLRP3, REN, SLC5A1 MEN1 2275/4885KMT2A 3290/4885ALDH1A1 627/4885
US-20130150383-A1 NOVEL COMPOUNDS HCAR1, XDH, GPR84 MEN1 3009/4885KMT2A 3023/4885ALDH1A1 305/4885
US-20080045555-A1 PURINONE DERIVATIVES AS HM74A AGONISTS GPR84, P2RY1, ADRA1A MEN1 1825/4885KMT2A 1601/4885ALDH1A1 641/4885
US-10322132-B2 Prevention or treatment of uratic or gouty diseases REN, NLRP3, SLC5A1 MEN1 2223/4885KMT2A 3253/4885ALDH1A1 657/4885

“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.