SCHEMBL4861931

SCHEMBL4861931

CCn1c(-c2cnn(Cc3ccccc3F)c2)c([N+](=O)[O-])c(=O)n(CC)c1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 14/20 0.51
ADORA2A P29274 11/20 0.51
ADORA1 P30542 11/20 0.51
PKM P14618 2/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
PKLR P30613 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALK Q9UM73 1/20 0.37

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
SCHEMBL4860861 0.94 ADORA2B (0.59) ADORA2BADORA2AADORA1ADORA3
SCHEMBL4864902 0.92 ADORA2B (0.49) ADORA2BADORA2AADORA1PKMALDH1A1
SCHEMBL4859057 0.90 ADORA2B (0.46) ADORA2BADORA2AADORA1PKMALDH1A1
SCHEMBL4865963 0.89 ADORA2B (0.45) ADORA2BADORA2AADORA1PKMALDH1A1
SCHEMBL4866175 0.89 ADORA2B (0.54) ADORA2BADORA2AADORA1PKMALDH1A1
SCHEMBL4861944 0.89 ADORA2B (0.47) ADORA2BADORA2AADORA1PKMALDH1A1
SCHEMBL4891672 0.88 ADORA2B (0.53) ADORA2BADORA2AADORA1ALDH1A1ADORA3
SCHEMBL4867559 0.86 ADORA2B (0.49) ADORA2BADORA2AADORA1PKMALDH1A1
SCHEMBL4866634 0.86 ADORA2B (0.45) ADORA2BADORA2AADORA1PKMALDH1A1
SCHEMBL4916169 0.85 ADORA2B (0.48) ADORA2BADORA2AADORA1PKMALDH1A1

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.