SCHEMBL5763873

SCHEMBL5763873

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(CNS(=O)(=O)c4ccccc4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 20/20 0.74
ADORA3 P0DMS8 6/20 0.74
ADORA2B P29275 6/20 0.74
ADORA1 P30542 6/20 0.74

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
SCHEMBL5761924 1.00 ADORA2A (0.74) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5761919 1.00 ADORA2A (0.74) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5761694 0.96 ADORA2A (0.70) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5763183 0.94 ADORA2A (0.68) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5763305 0.93 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5761612 0.93 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5763303 0.93 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6329934 0.92 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5764526 0.92 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1
SCHEMBL5764520 0.92 ADORA2A (0.75) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1220862-B1 PURINE DERIVATIVES PFIZER LTD (GB) 2006-03-22 EP claimed
US-20050250730-A1 Combination of an adenosine A2A-receptor agonist and tiotropium or a derivative thereof for treating obstructive airways and other inflammatory diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-11-10 US claimed
US-20050209185-A1 Combination of an adenosine A2A-receptor agonist and tiotropium or a derivative thereof for treating obstructive airways and other inflammatory diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-09-22 US claimed
US-20030013675-A1 Combination of an adenosine A2A-receptor agonist and tiotropium or a derivative thereof for treating obstructive airways and other inflammatory diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-16 US claimed
EP-1220862-B1 PURINE DERIVATIVES PFIZER LTD (GB) 2006-03-22 EP disclosed
US-20050250730-A1 Combination of an adenosine A2A-receptor agonist and tiotropium or a derivative thereof for treating obstructive airways and other inflammatory diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-11-10 US disclosed
US-20050209185-A1 Combination of an adenosine A2A-receptor agonist and tiotropium or a derivative thereof for treating obstructive airways and other inflammatory diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2005-09-22 US disclosed
US-20040209916-A1 Combination therapies PFIZER INC 2004-10-21 US disclosed
US-20030013675-A1 Combination of an adenosine A2A-receptor agonist and tiotropium or a derivative thereof for treating obstructive airways and other inflammatory diseases BOEHRINGER INGELHEIM PHARMA KG (DE) 2003-01-16 US disclosed
US-6448236-B1 FUNCTIONAL AGONISTS OF THE HUMAN ADENOSINE A2A RECEPTOR AND MAY BE USED AS, FOR EXAMPLE, ANTI-INFLAMMATORY AGENTS IN THE TREATMENT OF REPIRATORY DISEASES PFIZER INC 2002-09-10 US 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 (4 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-20050209185-A1 Combination of an adenosine A2A-receptor agonist and tiotropium or a derivative thereof for treating obstructive airways and other inflammatory diseases ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA3 2/4885ADORA2B 3/4885
US-20040209916-A1 Combination therapies ADRA2C, ADRB2, ADRA2A ADORA2A 10/4885ADORA3 13/4885ADORA2B 12/4885
US-20030013675-A1 Combination of an adenosine A2A-receptor agonist and tiotropium or a derivative thereof for treating obstructive airways and other inflammatory diseases ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA3 2/4885ADORA2B 3/4885
US-20050250730-A1 Combination of an adenosine A2A-receptor agonist and tiotropium or a derivative thereof for treating obstructive airways and other inflammatory diseases ADORA2A, ADORA3, ADORA2B ADORA2A 1/4885ADORA3 2/4885ADORA2B 3/4885

“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.