SCHEMBL536592

SCHEMBL536592

BrCc1cccc(CO[C@H]2CCOC2)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.48
ADORA3 P0DMS8 1/20 0.48
ADORA2B P29275 1/20 0.48
ADORA1 P30542 1/20 0.48
DCPS Q96C86 1/20 0.39
CXCR4 P61073 1/20 0.33
KCNH2 Q12809 1/20 0.33
DRD4 P21917 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
MCHR1 Q99705 1/20 0.32
PDE10A Q9Y233 1/20 0.32
ATF4 P18848 1/20 0.31

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
SCHEMBL537122 1.00 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1DCPS
SCHEMBL536593 1.00 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1DCPS
SCHEMBL28389041 0.91 DCPS (0.46) ADORA2AADORA3ADORA2BADORA1DCPS
SCHEMBL28389612 0.88 ADORA2A (0.37) ADORA2AADORA3ADORA2BADORA1DCPS
SCHEMBL1845258 0.87 ADORA2A (0.46) ADORA2AADORA3ADORA2BADORA1DCPS
SCHEMBL1845253 0.87 ADORA2A (0.46) ADORA2AADORA3ADORA2BADORA1DCPS
SCHEMBL22242037 0.86 ADORA2A (0.50) ADORA2AADORA3ADORA2BADORA1DCPS
SCHEMBL22940745 0.86 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1DCPS
SCHEMBL20911362 0.86 ADORA2A (0.43) ADORA2AADORA3ADORA2BADORA1DCPS
SCHEMBL22779220 0.86 ADORA2A (0.43) ADORA2AADORA3ADORA2BADORA1DCPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230100842-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS LIGAND UK DEVELOPMENT LIMITED (GB) 2023-03-30 US disclosed
US-11466019-B2 Triazolo[4,5-d] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2022-10-11 US disclosed
CN-111072676-B Nitrogen-containing fused tricyclic derivatives and uses thereof 广东东阳光药业有限公司 2021-07-16 CN disclosed
US-20210115054-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2021-04-22 US disclosed
US-20210115054-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2021-04-22 US disclosed
US-10875868-B2 Triazolo[4,5-d] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2020-12-29 US disclosed
US-10875868-B2 Triazolo[4,5-d] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2020-12-29 US disclosed
US-20200172547-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2020-06-04 US disclosed
US-20200172547-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2020-06-04 US disclosed
CN-111072676-A Nitrogen-containing fused tricyclic derivatives and uses thereof 广东东阳光药业有限公司 2020-04-28 CN disclosed
US-20170088552-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2017-03-30 US disclosed
US-9376443-B2 Triazolo[4,5-D] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2016-06-28 US disclosed
US-20150291602-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2015-10-15 US disclosed
US-8987279-B2 Triazolo [4, 5-D] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2015-03-24 US disclosed
US-20130245044-A1 TRIAZOLO[4, 5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2013-09-19 US disclosed
US-8450328-B2 Triazolo[4,5-D]pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2013-05-28 US disclosed
EP-2321321-B1 TRIAZOLO [4, 5-D]PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS R&D LTD (GB) 2012-02-08 EP disclosed
US-20110172252-A1 TRIAZOLO[4,5-D]PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED 2011-07-14 US disclosed
EP-2321321-A1 TRIAZOLO [4, 5-D]PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS Vernalis (R&D) Limited (GB) 2011-05-18 EP disclosed
WO-2009156737-A1 TRIAZOLO [4, 5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2009-12-30 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 (9 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-20110172252-A1 TRIAZOLO[4,5-D]PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 ADORA2A 11/4885ADORA3 14/4885ADORA2B 19/4885
US-20170088552-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 ADORA2A 11/4885ADORA3 14/4885ADORA2B 19/4885
US-10875868-B2 Triazolo[4,5-d] pyramidine derivatives and their use as purine receptor antagonists P2RX5, P2RY1, P2RX3 ADORA2A 11/4885ADORA3 14/4885ADORA2B 19/4885
US-20210115054-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 ADORA2A 11/4885ADORA3 14/4885ADORA2B 19/4885
US-20150291602-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 ADORA2A 11/4885ADORA3 14/4885ADORA2B 19/4885
US-20130245044-A1 TRIAZOLO[4, 5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 ADORA2A 11/4885ADORA3 14/4885ADORA2B 19/4885
US-11466019-B2 Triazolo[4,5-d] pyramidine derivatives and their use as purine receptor antagonists P2RX5, P2RY1, P2RX3 ADORA2A 11/4885ADORA3 14/4885ADORA2B 19/4885
US-20230100842-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 ADORA2A 11/4885ADORA3 14/4885ADORA2B 19/4885
US-20200172547-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 ADORA2A 11/4885ADORA3 14/4885ADORA2B 19/4885

“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.