SCHEMBL1972796

SCHEMBL1972796

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

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 11/20 0.63
▸ HIF1A Q16665 1/20 0.59
▸ TMEM97 Q5BJF2 1/20 0.59
▸ SIGMAR1 Q99720 1/20 0.59
▸ HSP90B1 P14625 2/20 0.58
▸ ADORA2A P29274 2/20 0.58
▸ ADORA2B P29275 2/20 0.58
▸ TSHR P16473 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ BLM P54132 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ HSP90AA1 P07900 1/20 0.58
▸ ADORA3 P0DMS8 1/20 0.58
▸ ADORA1 P30542 1/20 0.58
▸ DOT1L Q8TEK3 1/20 0.57
▸ PRMT5 O14744 1/20 0.56
▸ WDR77 Q9BQA1 1/20 0.56

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
SCHEMBL7744279 0.89 AHCY (0.47) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL177772 0.88 AHCY (0.61) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL28901883 0.88 AHCY (0.61) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL29877256 0.88 AHCY (0.61) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL1068915 0.85 AHCY (0.60) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL8661748 0.84 AHCY (0.69) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL8661561 0.84 AHCY (0.69) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL397800 0.83 AHCY (0.68) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL31680251 0.83 AHCY (0.68) AHCYHIF1ATMEM97SIGMAR1HSP90B1
SCHEMBL22326785 0.82 PRMT5 (0.64) AHCYHIF1ATMEM97SIGMAR1HSP90B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110189255-A1 DRUG-ELUTING STENTS FOR ADENOSINE RECEPTOR MODULATION PURDUE RESEARCH FOUNDATION 2011-08-04 — — US claimed
EP-1272897-B1 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR TREATING AND PREVENTING HEPATIC FIBROSIS, CIRRHOSIS AND FATTY LIVER UNIV NEW YORK (US) 2008-05-07 — — EP claimed
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-6555545-B2 Adenosine, caffeine, and 8-styryl-1,3,7-alkyl xanthine derivatives as wound healing agents NEW YORK UNIVERSITY 2003-04-29 — — US claimed
US-20020002145-A1 Adenosine A2A receptor antagonists for treating and preventing hepatic fibrosis, cirrhosis and fatty liver NEW YORK UNIVERSITY 2002-01-03 — — US claimed
US-5424297-A Adenosine dextran conjugates UNIVERSITY OF VIRGINIA ALUMNI PATENTS FOUNDATION (US) 1995-06-13 — — US claimed
US-12590288-B2 Method of treating an inflammatory disease by administering an agent which binds a surface receptor on a tuft cell that induces an ILC class 2 inflammatory response THE BROAD INSTITUTE, INC. (US) 2026-03-31 — — US disclosed
US-12227578-B2 Modulation of intestinal epithelial cell differentiation, maintenance and/or function through T cell action THE BROAD INSTITUTE, INC. (US) 2025-02-18 — — US disclosed
US-9414901-B2 Drug-eluting stents for adenosine receptor modulation INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2016-08-16 — — US disclosed
US-20130324461-A1 METHODS AND COMPOSITIONS FOR PREVENTING OR TREATING OBESITY SITKOVSKY MICHAIL V (US) 2013-12-05 — — US disclosed
US-20110189255-A1 DRUG-ELUTING STENTS FOR ADENOSINE RECEPTOR MODULATION PURDUE RESEARCH FOUNDATION 2011-08-04 — — US disclosed
US-20110144027-A1 PHARMACEUTICAL COMPOSITIONS FOR PROMOTING WOUND HEALING KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2011-06-16 — — US disclosed
US-5773423-A XANTHINE RIBOSIDES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1998-06-30 — — US disclosed
EP-0755255-A1 TREATMENT OF TOXOPLASMOSIS UNIVERSITY OF ALABAMA, BIRMINGHAM RESEARCH FOUNDATION (US) 1997-01-29 — — EP disclosed
WO-1996018398-A1 TREATMENT OF TOXOPLASMOSIS THE UNIVERSITY OF ALABAMA AT BIRMINGHAM RESEARCH FOUNDATION (US) 1996-06-20 — — WO disclosed
EP-0708781-A1 A 3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, as represented by THE SECRETARY, Department of Health and Human Services (US) 1996-05-01 — — EP disclosed
US-5424297-A Adenosine dextran conjugates UNIVERSITY OF VIRGINIA ALUMNI PATENTS FOUNDATION (US) 1995-06-13 — — US disclosed
WO-1995002604-A1 A3 ADENOSINE RECEPTOR AGONISTS THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-01-26 — — WO disclosed
WO-1994023723-A1 ADENOSINE RECEPTOR AGONISTS FOR THE PROMOTION OF WOUND HEALING NEW YORK UNIVERSITY (US) 1994-10-27 — — 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 (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-20130324461-A1 METHODS AND COMPOSITIONS FOR PREVENTING OR TREATING OBESITY ADORA2A, ADORA3, ADORA1 AHCY 382/4885HIF1A 689/4885TMEM97 1156/4885
US-20020002145-A1 Adenosine A2A receptor antagonists for treating and preventing hepatic fibrosis, cirrhosis and fatty liver ADORA2A, ADORA1, ADORA2B AHCY 44/4885HIF1A 920/4885TMEM97 1913/4885
US-12590288-B2 Method of treating an inflammatory disease by administering an agent which binds a surface receptor on a tuft cell that induces an ILC class 2 inflammatory response GPR3, GALR3, NR4A3 AHCY 3973/4885HIF1A 1172/4885TMEM97 927/4885

“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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