SCHEMBL3068488

SCHEMBL3068488

OC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)C(O)C1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 16/20 1.00
ADORA2A P29274 5/20 1.00
ADORA1 P30542 3/20 1.00
ADORA2B P29275 2/20 1.00
TP53 P04637 1/20 0.79
SLC29A1 Q99808 1/20 0.79
TDP1 Q9NUW8 1/20 0.79

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
SCHEMBL639768 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BTP53
SCHEMBL29386433 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BTP53
SCHEMBL17825926 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BTP53
SCHEMBL17824401 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BTP53
SCHEMBL639767 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2BTP53
SCHEMBL29524548 0.93 ADORA3 (0.87) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL17824486 0.90 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2BTP53
SCHEMBL640370 0.90 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2BTP53
SCHEMBL15189014 0.90 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2BTP53
SCHEMBL640371 0.90 ADORA3 (0.82) ADORA3ADORA2AADORA1ADORA2BTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790735-B2 Methanocarba cycloalkyl nucleoside analogues THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2010-09-07 US disclosed
US-20060270629-A1 Methanocarba cycloalkyl nucleoside analogues Govt of the U.S.A., represented by the Secretary, Dept of Health & Human Services (US) 2006-11-30 US disclosed
EP-1252160-B1 METHANOCARBA CYCLOALKYL NUCLEOSIDE ANALOGUES US GOV HEALTH & HUMAN SERV (US) 2006-08-16 EP disclosed
US-7087589-B2 Methanocarba cycloakyl nucleoside analogues THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2006-08-08 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
US-20030216412-A1 Methanocarba cycloakyl nucleoside analogues HEALTH AND HUMAN SERVICES, GOVERNMENT OF THE UNITED STATES OF AMERICA, THE, REPRESENTED BY THE SECRETARY, DEPARTMENT OF 2003-11-20 US 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
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

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-20030216412-A1 Methanocarba cycloakyl nucleoside analogues P2RY1, ADORA1, ADORA2A ADORA3 4/4885ADORA2A 3/4885ADORA1 2/4885
US-20060270629-A1 Methanocarba cycloalkyl nucleoside analogues ADORA2A, ADORA1, ADORA2B ADORA3 4/4885ADORA2A 1/4885ADORA1 2/4885

“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.