SCHEMBL940909

SCHEMBL940909

CN(C=O)C(OCc1ccc(N)c(I)c1)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 2/20 0.49
▸ AHCY P23526 9/20 0.48
▸ DOT1L Q8TEK3 1/20 0.47
▸ PRMT5 O14744 1/20 0.46
▸ WDR77 Q9BQA1 1/20 0.46
▸ HIF1A Q16665 1/20 0.45
▸ TMEM97 Q5BJF2 1/20 0.45
▸ SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL2780483 0.89 AHCY (0.49) ADORA3AHCYDOT1LPRMT5WDR77
SCHEMBL536759 0.89 AHCY (0.52) ADORA3AHCYDOT1LHIF1ATMEM97
SCHEMBL3486341 0.87 AHCY (0.60) AHCYDOT1LHIF1ATMEM97SIGMAR1
SCHEMBL8362057 0.86 ADORA3 (0.50) ADORA3AHCYDOT1LHIF1ATMEM97
SCHEMBL6421905 0.83 ADORA3 (0.58) ADORA3AHCY
SCHEMBL1563449 0.82 ADORA3 (0.54) ADORA3AHCY
SCHEMBL3292851 0.79 AHCY (0.52) AHCYDOT1LPRMT5WDR77HIF1A
SCHEMBL6692383 0.78 AHCY (0.54) ADORA3AHCYDOT1LHIF1ATMEM97
SCHEMBL1972796 0.77 AHCY (0.63) ADORA3AHCYDOT1LPRMT5WDR77
SCHEMBL8664327 0.77 ADORA1 (0.58) ADORA3AHCYDOT1L

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518957-B2 Methanocarba adenosine derivatives, pharmaceutical compositions, and method of reducing intraocular pressure THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2013-08-27 — — US disclosed
US-20120264769-A1 METHANOCARBA ADENOSINE DERIVATIVES AND DENDRIMER CONJUGATES THEREOF The United States of Americia, as represented by the Secretary, Department of Health and Human Serv (US) 2012-10-18 — — US disclosed
US-8071601-B2 Aminoquinoline derivatives and their use as adenosine A3 ligands SANOFI-AVENTIS (FR) 2011-12-06 — — US disclosed
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 2011-05-12 — — US disclosed
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 2011-01-13 — — US disclosed
US-7799922-B2 Aminoquinoline derivatives and their use as adenosine A3 ligands SANOFI-AVENTIS (FR) 2010-09-21 — — US disclosed
EP-2218442-A1 Methods, compositions, and kits for the treatment of ophthalmic disorders CombinatoRx, Inc. (US) 2010-08-18 — — EP disclosed
US-7709489-B2 Imidazoquinoline derivatives as adenosine A3 receptor ligands SANOFI-AVENTIS (FR) 2010-05-04 — — US disclosed
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 2009-10-01 — — US disclosed
US-7547696-B2 Such as 4-methoxy-N-[6-(morpholin-4-yl)-4-benzylamino-3-cyanoquinolin-2-yl]-benzamide; improved solubility SANOFI-AVENTIS (FR) 2009-06-16 — — US disclosed
WO-2007089617-A2 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF MUSCULOSKELETAL DISORDERS AND SYMPTOMS ASSOCIATED THEREWITH COMBINATORX, INCORPORATED (US) 2007-08-09 — — WO disclosed
WO-2007056457-A2 METHODS, COMPOSITIONS, AND KITS FOR THE TREATMENT OF MEDICAL CONDITIONS COMBINATORX, INCORPORATED (US) 2007-05-18 — — WO disclosed
EP-1560828-B9 IMIDAZOQUINOLINE DERIVATIVES AS ADENOSINE A3 RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2007-02-14 — — EP disclosed
US-20060211689-A1 Aminoquinoline derivatives and their use as adenosine A3 ligands SANOFI-AVENTIS U.S. LLC (US) 2006-09-21 — — US disclosed
EP-1663982-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS Sanofi-Aventis (FR) 2006-06-07 — — EP disclosed
EP-1560828-B1 IMIDAZOQUINOLINE DERIVATIVES AS ADENOSINE A3 RECEPTOR LIGANDS SANOFI AVENTIS (FR) 2006-05-03 — — EP disclosed
US-20050234056-A1 Imidazoquinoline derivatives as adenosine A3 receptor ligands SANOFI-AVENTIS (FR) 2005-10-20 — — US disclosed
EP-1560828-A1 IMIDAZOQUINOLINE DERIVATIVES AS ADENOSINE A3 RECEPTOR LIGANDS Sanofi-Aventis (FR) 2005-08-10 — — EP disclosed
WO-2005009969-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS SANOFI-AVENTIS (FR) 2005-02-03 — — WO disclosed
WO-2004046146-A1 IMIDAZOQUINOLINE DERIVATIVES AS ADENOSINE A3 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2004-06-03 — — 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-20060211689-A1 Aminoquinoline derivatives and their use as adenosine A3 ligands ADORA3, ADORA2A, ADORA1 ADORA3 1/4885AHCY 3011/4885DOT1L 3576/4885
US-20090247745-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA1 ADORA3 1/4885AHCY 3011/4885DOT1L 3576/4885
US-20050234056-A1 Imidazoquinoline derivatives as adenosine A3 receptor ligands ADORA3, ADORA1, ADORA2A ADORA3 1/4885AHCY 2221/4885DOT1L 2245/4885
US-20110112092-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B ADORA3 1/4885AHCY 1295/4885DOT1L 4000/4885
US-20110009626-A1 AMINOQUINOLINE DERIVATIVES AND THEIR USE AS ADENOSINE A3 LIGANDS ADORA3, ADORA2A, ADORA2B ADORA3 1/4885AHCY 1320/4885DOT1L 3620/4885
US-20120264769-A1 METHANOCARBA ADENOSINE DERIVATIVES AND DENDRIMER CONJUGATES THEREOF ADORA3, ADORA2A, ADORA1 ADORA3 1/4885AHCY 448/4885DOT1L 4018/4885

“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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