SCHEMBL5356782

SCHEMBL5356782

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COCc2cccc(I)c2)[C@@H](O)[C@H]1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 7/20 0.65
ADORA1 P30542 6/20 0.59
ADORA2A P29274 3/20 0.59
ADORA2B P29275 3/20 0.59
SLC29A1 Q99808 2/20 0.59
P2RY1 P47900 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
P2RY2 P41231 3/20 0.58
SRC P12931 2/20 0.58
TAS1R3 Q7RTX0 2/20 0.58
TAS1R1 Q7RTX1 2/20 0.58
DNPH1 O43598 1/20 0.58
PRKAB2 O43741 1/20 0.58
TRPM2 O94759 1/20 0.58
LDHA P00338 1/20 0.58
ADRB2 P07550 1/20 0.58
FBP1 P09467 1/20 0.58
PRKAG1 P54619 1/20 0.58
PRKAA2 P54646 1/20 0.58
PDE4D Q08499 1/20 0.58

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
SCHEMBL13269066 0.91 ADORA1 (0.60) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL13834596 0.91 ADORA1 (0.60) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL13268703 0.89 ADORA1 (0.60) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL622588 0.89 ADORA1 (0.69) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL8664327 0.88 ADORA1 (0.58) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL13268725 0.85 ADORA1 (0.60) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL62486 0.85 ADORA1 (0.65) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL932846 0.85 ADORA1 (0.65) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL22458248 0.84 ADORA1 (0.65) ADORA3ADORA1ADORA2AADORA2BSLC29A1
SCHEMBL13269154 0.83 PDE2A (0.66) ADORA3ADORA1ADORA2AADORA2BSLC29A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189706-B2 C2,5′-disubstituted and N6,C2,5′-trisubstituted adenosine derivatives and pharmaceutical compositions containing them UNIVERSITEIT LEIDEN (NL) 2007-03-13 US disclosed
EP-1252160-B1 METHANOCARBA CYCLOALKYL NUCLEOSIDE ANALOGUES US GOV HEALTH & HUMAN SERV (US) 2006-08-16 EP disclosed
US-7084127-B2 C2,5′-disubstituted and N6, C2,5′-trisubstituted adenosine derivatives and their different uses UNIVERSITEIT LEIDEN (NL) 2006-08-01 US disclosed
US-20040132686-A1 C2,5'- disubstituted and N6, c2,5'- trisubstituted adenosine derivatives and their different uses UNIVERSITEIT LEIDEN (NL) 2004-07-08 US disclosed
US-20040127452-A1 C2,5'-disubstituted and N6,C2,5'-trisubstituted adenosine derivatives and pharmaceutical compositions containing them UNIVERSITEIT LEIDEN (NL) 2004-07-01 US disclosed
EP-1368365-A2 C2,5'-DISUBSTITUTED AND N6,C2,5'-TRISUBSTITUTED ADENOSINE DERIVATIVES AND THEIR DIFFERENT USES Universiteit Leiden (NL) 2003-12-10 EP disclosed
EP-1252160-A1 METHANOCARBA CYCLOALKYL NUCLEOSIDE ANALOGUES THE UNITED STATES GOVERNMENT as represented by THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2002-10-30 EP disclosed
WO-2002070532-A2 C2,5'-DISUBSTITUTED AND N6,C2,5'-TRISUBSTITUTED ADENOSINE DERIVATIVES AND THEIR DIFFERENT USES UNIVERSITEIT LEIDEN (NL) 2002-09-12 WO disclosed
EP-0708781-B1 A 3 ADENOSINE RECEPTOR AGONISTS USA (US) 2001-10-04 EP disclosed
WO-2001051490-A1 METHANOCARBA CYCLOALKYL NUCLEOSIDE ANALOGUES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2001-07-19 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
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20040127452-A1 C2,5'-disubstituted and N6,C2,5'-trisubstituted adenosine derivatives and pharmaceutical compositions containing them ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA1 3/4885ADORA2A 1/4885
US-20040132686-A1 C2,5'- disubstituted and N6, c2,5'- trisubstituted adenosine derivatives and their different uses ADORA2A, ADORA3, ADORA1 ADORA3 2/4885ADORA1 3/4885ADORA2A 1/4885

“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.