SCHEMBL536759

SCHEMBL536759

CN(C=O)C(OCc1ccc(N)cc1)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 10/20 0.52
▸ DOT1L Q8TEK3 1/20 0.51
▸ HIF1A Q16665 1/20 0.49
▸ TMEM97 Q5BJF2 1/20 0.49
▸ SIGMAR1 Q99720 1/20 0.49
▸ TSHR P16473 2/20 0.49
▸ HSP90B1 P14625 2/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ HSP90AA1 P07900 1/20 0.49
▸ ADORA3 P0DMS8 1/20 0.49
▸ TMIGD3 P0DMS9 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ ADORA2B P29275 1/20 0.49
▸ ADORA1 P30542 1/20 0.49
▸ RXFP1 Q9HBX9 1/20 0.49

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
SCHEMBL3486341 0.93 AHCY (0.60) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL940909 0.89 ADORA3 (0.49) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL2780483 0.87 AHCY (0.49) AHCYDOT1LTSHRADORA3MAPK1
SCHEMBL8362057 0.85 ADORA3 (0.50) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL6692383 0.81 AHCY (0.54) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL1972796 0.81 AHCY (0.63) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL3292851 0.81 AHCY (0.52) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL19066616 0.79 AHCY (0.58) AHCYHIF1ATMEM97SIGMAR1TSHR
SCHEMBL8982539 0.77 AHCY (0.65) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL6698657 0.77 AHCY (0.55) AHCYHIF1ATMEM97SIGMAR1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638579-A2 COMPOSITIONS AND METHODS FOR USE OF A PROTEASE INHIBITOR AND ADENOSINE FOR PREVENTING ORGAN ISCHEMIA AND REPERFUSION INJURY EMORY UNIVERSITY (US) 2006-03-29 — — EP claimed
WO-2005003150-A2 COMPOSITIONS AND METHODS FOR USE OF A PROTEASE INHIBITOR AND ADENOSINE FOR PREVENTING ORGAN ISCHEMIA AND REPERFUSION INJURY EMORY UNIVERSITY (US) 2005-01-13 — — WO claimed
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-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-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-10538526-B2 Triazolo[4,5-D] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2020-01-21 — — US disclosed
US-20190031668-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2019-01-31 — — US disclosed
US-10106547-B2 Triazolo[4,5-D] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2018-10-23 — — US disclosed
US-20170342081-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS VERNALIS (R&D) LIMITED (GB) 2017-11-30 — — US disclosed
US-9765080-B2 Triazolo[4,5-D] pyramidine derivatives and their use as purine receptor antagonists VERNALIS (R&D) LIMITED (GB) 2017-09-19 — — 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
US-20090281126-A1 Organic Compounds NOVARTIS AG 2009-11-12 — — US disclosed
US-20050175535-A1 Myocardial perfusion imaging method CV THERAPEUTICS, INC. 2005-08-11 — — 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 (12 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-10106547-B2 Triazolo[4,5-D] pyramidine derivatives and their use as purine receptor antagonists P2RX5, P2RY1, P2RX3 AHCY 1084/4885DOT1L 4818/4885HIF1A 3313/4885
US-20110172252-A1 TRIAZOLO[4,5-D]PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 AHCY 1084/4885DOT1L 4818/4885HIF1A 3313/4885
US-20170342081-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 AHCY 1084/4885DOT1L 4818/4885HIF1A 3313/4885
US-20190031668-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 AHCY 1084/4885DOT1L 4818/4885HIF1A 3313/4885
US-10875868-B2 Triazolo[4,5-d] pyramidine derivatives and their use as purine receptor antagonists P2RX5, P2RY1, P2RX3 AHCY 1060/4885DOT1L 4812/4885HIF1A 3319/4885
US-20210115054-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 AHCY 1084/4885DOT1L 4818/4885HIF1A 3313/4885
US-10538526-B2 Triazolo[4,5-D] pyramidine derivatives and their use as purine receptor antagonists P2RX5, P2RY1, P2RX3 AHCY 1084/4885DOT1L 4818/4885HIF1A 3313/4885
US-20130245044-A1 TRIAZOLO[4, 5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 AHCY 1084/4885DOT1L 4818/4885HIF1A 3313/4885
US-20090281126-A1 Organic Compounds CYP3A43, CYP3A4, CYP2C19 AHCY 4831/4885DOT1L 1315/4885HIF1A 2205/4885
US-20230100842-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 AHCY 1084/4885DOT1L 4818/4885HIF1A 3313/4885
US-20050175535-A1 Myocardial perfusion imaging method ADORA2A, ADORA3, ADORA2B AHCY 846/4885DOT1L 4552/4885HIF1A 2036/4885
US-20200172547-A1 TRIAZOLO[4,5-D] PYRAMIDINE DERIVATIVES AND THEIR USE AS PURINE RECEPTOR ANTAGONISTS P2RX5, P2RY1, P2RX3 AHCY 1060/4885DOT1L 4812/4885HIF1A 3319/4885

“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.

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