SCHEMBL4758522

SCHEMBL4758522

Cn1cc2c(nc(N)n3nc(-c4ccco4)nc23)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 20/20 1.00
ADORA2A P29274 18/20 1.00
ADORA1 P30542 18/20 1.00
ADORA2B P29275 10/20 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
SCHEMBL4759841 0.85 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4759566 0.84 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4758498 0.83 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4758537 0.82 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL17399536 0.81 ADORA3 (0.77) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL15133880 0.81 ADORA3 (0.77) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL21659746 0.81 ADORA3 (0.67) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL21659372 0.80 ADORA3 (0.78) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4759270 0.80 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL14903102 0.79 ADORA3 (0.76) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020020097-A1 PYRAZOLOTRIAZOLOPYRIMIDINE DERIVATIVES AS A2A RECEPTOR ANTAGONIST BEIGENE, LTD. (KY) 2020-01-30 WO disclosed
US-9227979-B2 Fluorescent antagonists of the A3 adenosine receptor THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-01-05 US disclosed
US-9227979-B2 Fluorescent antagonists of the A3 adenosine receptor THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2016-01-05 US disclosed
US-20130190335-A1 FLUORESCENT ANTAGONISTS OF THE A3 ADENOSINE RECEPTOR The United State of America, as represented by the Secretary, Department of Health and Human Service (US) 2013-07-25 US disclosed
US-20130190335-A1 FLUORESCENT ANTAGONISTS OF THE A3 ADENOSINE RECEPTOR The United State of America, as represented by the Secretary, Department of Health and Human Service (US) 2013-07-25 US disclosed
US-7470698-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2008-12-30 US disclosed
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2007-10-25 US disclosed
US-7271171-B2 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. (US) 2007-09-18 US disclosed
US-20060040959-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2006-02-23 US disclosed
US-6921825-B2 Adenosine A3 receptor modulators KING PHARMACEUTICUALS RESEARCH & DEVELOPMENT, INC. (US) 2005-07-26 US disclosed
US-20030144266-A1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2003-07-31 US disclosed
US-6448253-B1 Adenosine A3 receptor modulators KING PHARMACEUTICALS RESEARCH AND DEVELOPMENT, INC. 2002-09-10 US disclosed
US-6407236-B1 TUMOR DIAGNOSIS; ANTIINFLAMMATORY AGENTS; ANTIISCHEMIC AGENTS; ANTIDEPRESSANTS MEDCO RESEARCH, INC. 2002-06-18 US disclosed
WO-2000015231-A9 ADENOSINE A3 RECEPTOR MODULATORS MEDCO RES INC (US) 2000-08-17 WO disclosed
WO-2000015231-A1 ADENOSINE A3 RECEPTOR MODULATORS MEDCO RESEARCH INC. (US) 2000-03-23 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 (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-20060040959-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA2A 2/4885ADORA1 3/4885
US-20130190335-A1 FLUORESCENT ANTAGONISTS OF THE A3 ADENOSINE RECEPTOR ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA2A 2/4885ADORA1 3/4885
US-20070249641-A1 ADENOSINE A3 RECEPTOR MODULATORS ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA2A 2/4885ADORA1 3/4885
US-20030144266-A1 Adenosine A3 receptor modulators ADORA3, ADORA2A, ADORA1 ADORA3 1/4885ADORA2A 2/4885ADORA1 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.