SCHEMBL837744

SCHEMBL837744

CCCCn1c(=O)n(CCCc2noc(Cc3ccc4c(c3)OCO4)n2)c(=O)c2[nH]c(Cl)nc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 0.44
ADORA1 P30542 6/20 0.44
HSP90AA1 P07900 2/20 0.41
HSP90AB1 P08238 2/20 0.41
MAPT P10636 3/20 0.39
HTT P42858 2/20 0.39
USP2 O75604 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
ADORA2A P29274 4/20 0.38
ATM Q13315 1/20 0.38
KDM4E B2RXH2 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PCK1 P35558 1/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL837886 0.94 ADORA2B (0.44) ADORA2BADORA1HSP90AA1HSP90AB1MAPT
SCHEMBL837545 0.86 ADORA2B (0.40) ADORA2BADORA1ADORA2AADORA3
SCHEMBL836691 0.85 ADORA2B (0.46) ADORA2BADORA1ADORA2AADORA3
SCHEMBL834570 0.85 ADORA2B (0.43) ADORA2BADORA1ADORA2APCK1ADORA3
SCHEMBL836075 0.85 ADORA2A (0.49) ADORA2BADORA1ADORA2AKDM4EHSD17B10
SCHEMBL835476 0.84 PCK1 (0.40) ADORA2BADORA1ADORA2APCK1ADORA3
SCHEMBL836137 0.84 ADORA2B (0.40) ADORA2BADORA1ADORA2APCK1
SCHEMBL837457 0.83 ADORA2B (0.46) ADORA2BADORA1HSP90AA1HSP90AB1ADORA2A
SCHEMBL836754 0.83 ADORA2A (0.46) ADORA2BADORA1ADORA2AKDM4EHSD17B10
SCHEMBL834613 0.82 ADORA2B (0.39) ADORA2BADORA1ADORA2AADORA3

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2272848-B1 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-12-26 EP disclosed
US-8143264-B2 Xanthine derivatives as selective HM74A agonists GLAXOSMITHKLINE LLC (US) 2012-03-27 US disclosed
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GLAXOSMITHKLINE LLC 2011-10-20 US disclosed
EP-2272848-A1 Xanthine derivatives as selective HM74A agonists Glaxosmithkline LLC (US) 2011-01-12 EP disclosed
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION 2010-07-15 US disclosed
US-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2010-07-01 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 (3 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-20100168122-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, XDH, GPR88 ADORA2B 94/4885ADORA1 29/4885HSP90AA1 1338/4885
US-20110257205-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS GPR84, GPR88, XDH ADORA2B 97/4885ADORA1 24/4885HSP90AA1 1388/4885
US-20100179128-A1 XANTHINE DERIVATIVES AS SELECTIVE HM74A AGONISTS XDH, GPR84, GPR88 ADORA2B 111/4885ADORA1 32/4885HSP90AA1 1344/4885

“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.