Uk432097

Uk432097

SCHEMBL726361

CCNC(=O)[C@H]1O[C@@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(C(=O)NCCNC(=O)NC4CCN(c5ccccn5)CC4)nc32)[C@H](O)[C@@H]1O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADORA2A

The experimentally established mechanism targets of Uk432097. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A known ✓ P29274 20/20 1.00
ADORA3 P0DMS8 2/20 0.61
ADORA2B P29275 2/20 0.61
ADORA1 P30542 2/20 0.61

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
Uk432097 SCHEMBL29379667 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
Uk432097 SCHEMBL4369758 1.00 ADORA2A (1.00) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4369952 0.90 ADORA2A (0.82) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4369947 0.90 ADORA2A (0.82) ADORA2AADORA3ADORA2BADORA1
SCHEMBL13863062 0.90 ADORA2A (0.82) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6304433 0.90 ADORA2A (0.81) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4375274 0.85 ADORA2A (0.74) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4375280 0.85 ADORA2A (0.74) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4383745 0.84 ADORA2A (0.75) ADORA2AADORA3ADORA2BADORA1
SCHEMBL4383743 0.84 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 49 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292604-B1 2-AMINOCARBONYL-9H-PURINE DERIVATIVES PFIZER LTD (GB) 2009-05-13 EP claimed
US-7107985-B2 Pharmaceutical combination PFIZER, INC. (US) 2006-09-19 US claimed
US-7094769-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC (US) 2006-08-22 US claimed
US-20060008421-A1 Pharmaceutical combination PFIZER INC 2006-01-12 US claimed
US-6974803-B2 Antiinflammatory agents; respiratory system disorders PFIZER INC (US) 2005-12-13 US 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
EP-1455799-B1 PHARMACEUTICAL COMBINATIONS OF ADENOSINE A-2A AND BETA-2-ADRENERGIC RECEPTOR AGONISTS PFIZER LTD (GB) 2005-04-27 EP claimed
US-20040171576-A1 Adenosine a2a receptor agonist and an anticholinergic agent in combination for treating obstructive airways diseases PFIZER INC. 2004-09-02 US claimed
US-6753322-B2 2-aminocarbonyl-9H-purine derivatives PFIZER INC 2004-06-22 US claimed
US-20030139369-A1 Pharmaceutical combination PFIZER INC. 2003-07-24 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
US-20210311050-A1 TARGETING PATHOGENIC B CELLS IN AUTOIMMUNITY THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK 2021-10-07 US disclosed
US-10953015-B2 Use of adenosine receptor signaling to regulate P-gp function CORNELL UNIVERSITY (US) 2021-03-23 US disclosed
WO-2020033624-A1 TARGETING PATHOGENIC B CELLS IN AUTOIMMUNITY THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-02-13 WO disclosed
US-20190038630-A1 USE OF ADENOSINE RECEPTOR SIGNALING TO REGULATE P-GP FUNCTION NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-02-07 US disclosed
WO-2003048180-A1 CRYSTALLINE FORM OF A RIBOFURANOSYLURONAMIDE DERIVATIVE; A HUMAN ADENOSINE A2A RECEPTOR AGONIST PFIZER LIMITED (GB) 2003-06-12 WO disclosed
US-20030064034-A1 Use of compounds in a dry powder inhaler PFIZER INC. 2003-04-03 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-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PFIZER INC. 2002-05-16 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 (9 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-20040171576-A1 Adenosine a2a receptor agonist and an anticholinergic agent in combination for treating obstructive airways diseases ADORA2A, ADORA3, ADORA1 ADORA2A 1/4885ADORA3 2/4885ADORA2B 4/4885
US-20060008421-A1 Pharmaceutical combination ADRB2, ADRA2B, ADRA2C ADORA2A 4/4885ADORA3 11/4885ADORA2B 5/4885
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-20030139369-A1 Pharmaceutical combination ADRA2B, ADRB2, ADRA2A ADORA2A 6/4885ADORA3 13/4885ADORA2B 5/4885
US-20030064034-A1 Use of compounds in a dry powder inhaler QDPR, HRH4, HRH2 ADORA2A 356/4885ADORA3 67/4885ADORA2B 179/4885
US-20020058641-A1 2-aminocarbonyl-9H-purine derivatives PNP, NUDT1, SLC29A1 ADORA2A 9/4885ADORA3 21/4885ADORA2B 10/4885
US-20210311050-A1 TARGETING PATHOGENIC B CELLS IN AUTOIMMUNITY ADORA2A, ADORA2B, ADORA3 ADORA2A 1/4885ADORA3 3/4885ADORA2B 2/4885
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.