SCHEMBL4759539

SCHEMBL4759539

c1ccc(CCn2cc3c(ncn4nc(-c5ccco5)nc34)n2)cc1

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 19/20 0.68
ADORA2A P29274 13/20 0.68
ADORA1 P30542 11/20 0.68
ADORA2B P29275 9/20 0.68

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
SCHEMBL4759247 0.94 ADORA3 (0.69) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4759525 0.89 ADORA2A (0.54) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4759851 0.86 ADORA3 (0.67) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4758013 0.84 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4757988 0.84 ADORA2A (0.65) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4758535 0.83 ADORA3 (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4759270 0.81 ADORA3 (1.00) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4758009 0.80 ADORA3 (0.63) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4758529 0.79 ADORA2A (0.68) ADORA3ADORA2AADORA1ADORA2B
SCHEMBL4824435 0.76 ADORA3 (1.00) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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-20060040959-A1 Adenosine A3 receptor modulators 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.