SCHEMBL3292851

SCHEMBL3292851

CN(C=O)C(OC(I)c1ccccc1)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 11/20 0.52
▸ HIF1A Q16665 1/20 0.51
▸ TMEM97 Q5BJF2 1/20 0.51
▸ SIGMAR1 Q99720 1/20 0.51
▸ PRMT5 O14744 1/20 0.49
▸ WDR77 Q9BQA1 1/20 0.49
▸ EZH2 Q15910 1/20 0.49
▸ ADORA1 P30542 2/20 0.48
▸ DOT1L Q8TEK3 1/20 0.48

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 0.86 AHCY (0.60) AHCYHIF1ATMEM97SIGMAR1EZH2
SCHEMBL8362057 0.83 ADORA3 (0.50) AHCYHIF1ATMEM97SIGMAR1ADORA1
SCHEMBL536759 0.81 AHCY (0.52) AHCYHIF1ATMEM97SIGMAR1ADORA1
SCHEMBL6692383 0.81 AHCY (0.54) AHCYHIF1ATMEM97SIGMAR1ADORA1
SCHEMBL1972796 0.81 AHCY (0.63) AHCYHIF1ATMEM97SIGMAR1PRMT5
SCHEMBL2780483 0.80 AHCY (0.49) AHCYPRMT5WDR77ADORA1DOT1L
SCHEMBL940909 0.79 ADORA3 (0.49) AHCYHIF1ATMEM97SIGMAR1PRMT5
SCHEMBL674401 0.78 AHCY (0.57) AHCYHIF1ATMEM97SIGMAR1PRMT5
SCHEMBL788626 0.78 AHCY (0.57) AHCYHIF1ATMEM97SIGMAR1PRMT5
SCHEMBL6445754 0.78 AHCY (0.57) AHCYHIF1ATMEM97SIGMAR1PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7732484-B2 Use of selective adenosine A1 receptor allosteric enhancers to manipulate angiogenesis UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2010-06-08 — — US disclosed
US-7485655-B2 2-Aminothiazole allosteric enhancers of A1 adenosine receptors UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2009-02-03 — — US disclosed
EP-1583530-A4 2-AMINOTHIAZOLE ALLOSTERIC ENHANCERS OF A1-ADENOSINE RECEPTORS UNIV VIRGINIA (US) 2008-07-23 — — EP disclosed
EP-1583530-A1 2-AMINOTHIAZOLE ALLOSTERIC ENHANCERS OF A1-ADENOSINE RECEPTORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2005-10-12 — — EP disclosed
EP-1305023-A4 USE OF SELECTIVE ADENOSINE A1 RECEPTOR AGONISTS, ANTAGONISTS AND ALLOSTERIC ENHANCERS TO MANIPULATE ANGIOGENESIS UNIV VIRGINIA (US) 2005-02-23 — — EP disclosed
US-20050027125-A1 2-Aminothiazole allosteric enhancers of a ?1? adenosine receptors NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2005-02-03 — — US disclosed
US-20030212082-A1 Use of selective adenosine a1 receptor agonists, antagonists and allosteric enhancers to manipulate angiogenesis VIRGINIA UNIVERSITY OF 2003-11-13 — — US disclosed
WO-2003061655-A1 2-AMINOTHIAZOLE ALLOSTERIC ENHANCERS OF A1 ADENOSINE RECEPTORS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2003-07-31 — — WO disclosed
EP-1305023-A1 USE OF SELECTIVE ADENOSINE A1 RECEPTOR AGONISTS, ANTAGONISTS AND ALLOSTERIC ENHANCERS TO MANIPULATE ANGIOGENESIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2003-05-02 — — EP disclosed
WO-2002009701-A1 USE OF SELECTIVE ADENOSINE A1 RECEPTOR AGONISTS, ANTAGONISTS AND ALLOSTERIC ENHANCERS TO MANIPULATE ANGIOGENESIS UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2002-02-07 — — 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 (1 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-20050027125-A1 2-Aminothiazole allosteric enhancers of a ?1? adenosine receptors ADORA1, ADORA2A, ADORA2B AHCY 713/4885HIF1A 107/4885TMEM97 611/4885

“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.

Send feedback