SCHEMBL4867808

SCHEMBL4867808

CC(c1ccccc1)n1c(-c2cnn(Cc3ccccc3F)c2)c([N+](=O)[O-])c(=O)n(C2CCC2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 0.39
ADORA2A P29274 4/20 0.39
ADORA1 P30542 4/20 0.39
MAPT P10636 3/20 0.36
ALK Q9UM73 1/20 0.35
PKM P14618 2/20 0.34
ALDH1A1 P00352 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE1A P54750 1/20 0.34
PDE1B Q01064 1/20 0.34
PDE1C Q14123 1/20 0.34
CREBBP Q92793 1/20 0.33
GNRHR P30968 1/20 0.32
PKLR P30613 1/20 0.32
GAA P10253 1/20 0.32
ADORA3 P0DMS8 1/20 0.32
TEC P42680 1/20 0.31
TXK P42681 1/20 0.31
BMX P51813 1/20 0.31
BTK Q06187 1/20 0.31

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
SCHEMBL4891718 0.90 ADORA2B (0.41) ADORA2BADORA2AADORA1ALDH1A1GNRHR
SCHEMBL4858900 0.88 ADORA2B (0.44) ADORA2BADORA2AADORA1MAPTALK
SCHEMBL4868092 0.88 ADORA2B (0.40) ADORA2BADORA2AADORA1MAPTALK
SCHEMBL4763444 0.86 MAPT (0.33) ADORA2BADORA2AADORA1MAPTPKM
SCHEMBL4763440 0.86 MAPT (0.33) ADORA2BADORA2AADORA1MAPTPKM
SCHEMBL4867651 0.84 CREBBP (0.37) CREBBPSLC6A2DCTPP1
SCHEMBL4867818 0.83 ADORA2B (0.39) ADORA2BADORA2AADORA1MAPTALK
SCHEMBL4864147 0.82 HSP90AA1 (0.41) ADORA2BADORA2AADORA1ALDH1A1CREBBP
SCHEMBL4791586 0.81 ADORA2B (0.43) ADORA2BADORA2AADORA1MAPTALK
SCHEMBL4865952 0.81 ADORA2B (0.41) ADORA2BADORA2AADORA1MAPTALK

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 2 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
US-20050119287-A1 A2B adenosine receptor antagonists GILEAD PALO ALTO, INC. 2005-06-02 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 (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.