SCHEMBL4865553

SCHEMBL4865553

CCCCn1c(=O)c([N+](=O)[O-])c(-c2cnn(-c3ccccc3)c2)n(C(C)OC)c1=O

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 11/20 0.45
ADORA2A P29274 10/20 0.45
ADORA1 P30542 9/20 0.45
HSP90AA1 P07900 1/20 0.41
KDM5B Q9UGL1 1/20 0.35
ALDH1A1 P00352 6/20 0.35
ADORA3 P0DMS8 3/20 0.35
KMT2A Q03164 2/20 0.35
LMNA P02545 1/20 0.35
KDM5A P29375 1/20 0.35
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
HTT P42858 2/20 0.33
POLB P06746 1/20 0.33
MEN1 O00255 1/20 0.33
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL4868526 0.88 ADORA2B (0.50) ADORA2BADORA2AADORA1HSP90AA1ALDH1A1
SCHEMBL4863917 0.87 ADORA2B (0.46) ADORA2BADORA2AADORA1HSP90AA1KDM5B
SCHEMBL4868535 0.86 ALDH1A1 (0.35) ADORA2BADORA2AADORA1KDM5BALDH1A1
SCHEMBL4866206 0.86 HSP90AA1 (0.47) ADORA2BADORA2AADORA1HSP90AA1KDM5B
SCHEMBL4865556 0.86 ADORA2A (0.45) ADORA2BADORA2AADORA1HSP90AA1ALDH1A1
SCHEMBL4866844 0.85 ADORA1 (0.44) ADORA2BADORA2AADORA1HSP90AA1KDM5B
SCHEMBL4763478 0.84 NCOA1 (0.42) ADORA2BADORA2AADORA1HSP90AA1ALDH1A1
SCHEMBL4763471 0.84 NCOA1 (0.42) ADORA2BADORA2AADORA1HSP90AA1ALDH1A1
SCHEMBL4866176 0.81 ADORA2B (0.49) ADORA2BADORA2AADORA1ALDH1A1ADORA3
SCHEMBL4866073 0.80 ADORA2B (0.55) ADORA2BADORA2AADORA1HSP90AA1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7449473-B2 Substituted pyrrolo[3,2-d]pyrimidin-2,4-diones as A2b adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2008-11-11 US disclosed
EP-1678181-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2006-07-12 EP disclosed
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 US disclosed
WO-2005042534-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2005-05-12 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 (1 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-20050119287-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 ADORA2B 1/4885ADORA2A 2/4885ADORA1 4/4885

“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.