SCHEMBL5359016

SCHEMBL5359016

CCCCC#Cc1nc(N)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 1.00
ADORA3 P0DMS8 5/20 1.00
ADORA2B P29275 4/20 1.00
ADORA1 P30542 1/20 1.00

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
SCHEMBL5359028 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6939834 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5734713 0.97 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5734723 0.97 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL9166176 0.96 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6938649 0.96 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL12958834 0.96 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL21710733 0.96 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL9173436 0.96 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5737339 0.96 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1110554-B1 MEDICINAL COMPOSITIONS FOR TREATING EYE DISEASES YAMASA CORP (JP) 2006-03-08 EP claimed
US-6387889-B1 REDUCING OCULAR TENSION YAMASA CORPORATION (JP) 2002-05-14 US claimed
EP-1110554-A1 MEDICINAL COMPOSITIONS FOR TREATING EYE DISEASES YAMASA CORPORATION (JP) 2001-06-27 EP claimed
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
US-7112574-B2 found to be potent adenosine receptor agonists, in particular for the A2A receptor. UNIVERSITEIT LEIDEN (NL) 2006-09-26 US disclosed
EP-1368364-B1 C2, 8-DISUBSTITUTED ADENOSINE DERIVATIVES AND THEIR DIFFERENT USES UNIV LEIDEN (NL) 2006-09-20 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
EP-1110554-B1 MEDICINAL COMPOSITIONS FOR TREATING EYE DISEASES YAMASA CORP (JP) 2006-03-08 EP 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
US-20040116374-A1 C2, 8-disubstituted adenosine derivatives and their different uses UNIVERSITEIT LEIDEN (NL) 2004-06-17 US disclosed
US-6387889-B1 REDUCING OCULAR TENSION YAMASA CORPORATION (JP) 2002-05-14 US disclosed
EP-1110554-A1 MEDICINAL COMPOSITIONS FOR TREATING EYE DISEASES YAMASA CORPORATION (JP) 2001-06-27 EP disclosed
US-5459254-A Reversing the order of the amination and alkynylation steps YAMASA SHOYU KABUSHIKI KAISHA (JP) 1995-10-17 US disclosed
EP-0429681-B1 INTERMEDIATE FOR 2-ALKYNYLADENOSINE SYNTHESIS, PRODUCTION OF SAID INTERMEDIATE, PRODUCTION OF 2-ALKYNYLADENOSINE FROM SAID INTERMEDIATE, AND STABLE 2-ALKYNYLADENOSINE DERIVATIVE YAMASA SHOYU KK (JP) 1995-09-06 EP disclosed
EP-0444196-B1 AGENT FOR TREATMENT AND PROPHYLAXIS OF ISCHEMIC DISEASE OF HEART OR BRAIN YAMASA SHOYU KK (JP) 1994-06-08 EP disclosed
US-5283327-A Synthetic intermediate for 2-alkynyladenosine; storage stability YAMASA SHOYU KABUSHIKI KAISHA (JP) 1994-02-01 US disclosed
US-5270304-A Therapeutic 2-alkynyl adenosine agent for ischemic diseases of the heart or brain YAMASA SHOYU KABUSHIKI KAISHA (JP) 1993-12-14 US disclosed
EP-0444196-A1 AGENT FOR TREATMENT AND PROPHYLAXIS OF ISCHEMIC DISEASE OF HEART OR BRAIN Yamasa Shoyu Kabushiki Kaisha (JP) 1991-09-04 EP disclosed
EP-0429681-A1 INTERMEDIATE FOR 2-ALKYNYLADENOSINE SYNTHESIS, PRODUCTION OF SAID INTERMEDIATE, PRODUCTION OF 2-ALKYNYLADENOSINE FROM SAID INTERMEDIATE, AND STABLE 2-ALKYNYLADENOSINE DERIVATIVE Yamasa Shoyu Kabushiki Kaisha (Yamasa Corporation) (JP) 1991-06-05 EP 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 ADORA2A 1/4885ADORA3 2/4885ADORA2B 4/4885
US-20040132686-A1 C2,5'- disubstituted and N6, c2,5'- trisubstituted adenosine derivatives and their different uses ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885ADORA2B 4/4885

“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.