SCHEMBL4868092

SCHEMBL4868092

O=c1c([N+](=O)[O-])c(-c2cnn(Cc3ccccc3F)c2)n(C2CCC2)c(=O)n1C1CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 2/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
MAPT P10636 3/20 0.39
PKM P14618 2/20 0.39
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDE1A P54750 1/20 0.36
PDE1B Q01064 1/20 0.36
PDE1C Q14123 1/20 0.36
ALK Q9UM73 1/20 0.35
MAP3K5 Q99683 2/20 0.35
GAA P10253 2/20 0.33
PKLR P30613 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
TEC P42680 1/20 0.33
TXK P42681 1/20 0.33
BMX P51813 1/20 0.33
BTK Q06187 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
SCHEMBL4890173 0.89 ADORA2A (0.42) ADORA2BADORA2AADORA1ALDH1A1TEC
SCHEMBL4860832 0.88 ADORA2B (0.38) ADORA2BADORA2AADORA1MAPTPKM
SCHEMBL4867808 0.88 ADORA2B (0.39) ADORA2BADORA2AADORA1MAPTPKM
SCHEMBL4867818 0.88 ADORA2B (0.39) ADORA2BADORA2AADORA1MAPTPKM
SCHEMBL4769532 0.82 MAPT (0.37) ADORA2BADORA2AADORA1MAPTPKM
SCHEMBL4769541 0.82 MAPT (0.37) ADORA2BADORA2AADORA1MAPTPKM
SCHEMBL4864902 0.81 ADORA2B (0.49) ADORA2BADORA2AADORA1MAPTPKM
SCHEMBL4895305 0.78 ADORA2A (0.40) ADORA2BADORA2AADORA1
SCHEMBL4858967 0.78 HSP90AA1 (0.44) ADORA2BADORA2AADORA1ALDH1A1GAA
SCHEMBL4891723 0.77 C5AR1 (0.42) ADORA2BADORA2AADORA1

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.