SCHEMBL4538178

SCHEMBL4538178

Nc1nc(C#CC(O)c2ccccc2)nc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 14/20 1.00
ADORA2A P29274 13/20 1.00
ADORA1 P30542 13/20 1.00
ADORA2B P29275 12/20 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
SCHEMBL5734430 1.00 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL7804773 0.95 ADORA3 (0.90) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6263899 0.87 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5397275 0.87 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL6263905 0.87 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4799162 0.84 ADORA2A (0.81) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5733914 0.84 ADORA2A (0.81) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL12958831 0.84 ADORA2A (0.81) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL13770823 0.84 ADORA2A (0.73) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL5733320 0.83 ADORA2A (0.77) ADORA3ADORA2AADORA1ADORA2B

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 16 patents. 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
CN-106377540-B Bifunctional compounds for the prevention and treatment of neurodegenerative diseases 中央研究院 2019-08-16 CN disclosed
US-10342818-B2 Dual-action compounds targeting adenosine A2A receptor and adenosine transporter for prevention and treatment of neurodegenerative diseases ACADEMIA SINICA (TW) 2019-07-09 US disclosed
EP-2498774-B1 DUAL-ACTION COMPOUNDS TARGETING ADENOSINE A2A RECEPTOR AND ADENOSINE TRANSPORTER FOR PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES ACADEMIA SINICA (TW) 2017-10-11 EP disclosed
CN-106377540-A Bifunctional compounds binding to adenosine A2A receptors and adenosine transporters for the prevention and treatment of neurodegenerative diseases 中央研究院 2017-02-08 CN disclosed
CN-102740849-B Bifunctional compounds binding to adenosine A2A receptors and adenosine transporters for the prevention and treatment of neurodegenerative diseases ACADEMIA SINICA (CN) 2016-11-30 CN disclosed
US-20150374737-A1 Dual-Action Compounds Targeting Adenosine A2A Receptor and Adenosine Transporter for Prevention and Treatment of Neurodegenerative Diseases ACADEMIA SINICA (TW) 2015-12-31 US disclosed
US-20120295863-A1 Dual-Action Compounds Targeting Adenosine A2A Receptor and Adenosine Transporter for Prevention and Treatment of Neurodegenerative Diseases ACADEMIA SINICA (TW) 2012-11-22 US disclosed
CN-102740849-A Binding to adenosine A2ABifunctional compounds of receptor and adenosine transporter for preventing and treating neurodegenerative diseases ACADEMIA SINICA 2012-10-17 CN disclosed
EP-2498774-A1 DUAL-ACTION COMPOUNDS TARGETING ADENOSINE A2A RECEPTOR AND ADENOSINE TRANSPORTER FOR PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES Academia Sinica (TW) 2012-09-19 EP disclosed
WO-2012064340-A1 DUAL-ACTION COMPOUNDS TARGETING ADENOSINE A2A RECEPTOR AND ADENOSINE TRANSPORTER FOR PREVENTION AND TREATMENT OF NEURODEGENERATIVE DISEASES ACADEMIA SINICA (TW) 2012-05-18 WO disclosed
EP-1110554-B1 MEDICINAL COMPOSITIONS FOR TREATING EYE DISEASES YAMASA CORP (JP) 2006-03-08 EP 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

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

For each of this compound's patents that has machine-readable text (3 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-20150374737-A1 Dual-Action Compounds Targeting Adenosine A2A Receptor and Adenosine Transporter for Prevention and Treatment of Neurodegenerative Diseases ADORA2A, ADORA1, ADORA3 ADORA3 3/4885ADORA2A 1/4885ADORA1 2/4885
US-10342818-B2 Dual-action compounds targeting adenosine A2A receptor and adenosine transporter for prevention and treatment of neurodegenerative diseases ADORA2A, ADORA1, ADORA3 ADORA3 3/4885ADORA2A 1/4885ADORA1 2/4885
US-20120295863-A1 Dual-Action Compounds Targeting Adenosine A2A Receptor and Adenosine Transporter for Prevention and Treatment of Neurodegenerative Diseases ADORA2A, ADORA1, ADORA3 ADORA3 3/4885ADORA2A 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.