SCHEMBL4863917

SCHEMBL4863917

CCCn1c(-c2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c(=O)n(C(C)OC)c1=O

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 8/20 0.46
ADORA1 P30542 8/20 0.46
ADORA2A P29274 7/20 0.46
HSP90AA1 P07900 1/20 0.42
ADORA3 P0DMS8 5/20 0.35
KDM5B Q9UGL1 1/20 0.35
MAPT P10636 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
KDM5A P29375 1/20 0.34
CFTR P13569 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
GRM4 Q14833 2/20 0.32
LMNA P02545 1/20 0.32
PKM P14618 1/20 0.32

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
SCHEMBL4866206 0.87 HSP90AA1 (0.47) ADORA2BADORA1ADORA2AHSP90AA1KDM5B
SCHEMBL4865553 0.87 ADORA2B (0.45) ADORA2BADORA1ADORA2AHSP90AA1ADORA3
SCHEMBL4865964 0.85 ERN1 (0.32) CFTR
SCHEMBL4863923 0.85 ADORA2A (0.51) ADORA2BADORA1ADORA2AHSP90AA1ADORA3
SCHEMBL4866073 0.84 ADORA2B (0.55) ADORA2BADORA1ADORA2AHSP90AA1ADORA3
SCHEMBL4765284 0.83 NPC1 (0.40) ADORA2BADORA1ADORA2AHSP90AA1ADORA3
SCHEMBL4765296 0.83 NPC1 (0.40) ADORA2BADORA1ADORA2AHSP90AA1ADORA3
SCHEMBL4868526 0.82 ADORA2B (0.50) ADORA2BADORA1ADORA2AHSP90AA1ADORA3
SCHEMBL4866844 0.81 ADORA1 (0.44) ADORA2BADORA1ADORA2AHSP90AA1ADORA3
SCHEMBL4866210 0.81 ADORA2B (0.45) ADORA2BADORA1ADORA2AHSP90AA1MAPT

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 1/4885ADORA1 4/4885ADORA2A 2/4885

“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.