SCHEMBL4865534

SCHEMBL4865534

O=c1c([N+](=O)[O-])c(-c2cnn(Cc3ccccc3F)c2)n(Cc2ccoc2)c(=O)n1Cc1ccoc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 9/20 0.43
ADORA2A P29274 6/20 0.43
ADORA1 P30542 6/20 0.43
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.38
HSPD1 P10809 1/20 0.35
HSPE1 P61604 1/20 0.35
CFTR P13569 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SCD O00767 2/20 0.34
SCD5 Q86SK9 2/20 0.34
ALK Q9UM73 1/20 0.33
TP53 P04637 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
SCHEMBL4859881 0.95 ADORA2B (0.40) ADORA2BADORA2AADORA1ALDH1A1L3MBTL1
SCHEMBL4867838 0.92 ADORA2B (0.40) ADORA2BADORA2AADORA1ALDH1A1MAPT
SCHEMBL4908302 0.89 ADORA2B (0.45) ADORA2BADORA2AADORA1ALDH1A1HSPD1
SCHEMBL4864902 0.89 ADORA2B (0.49) ADORA2BADORA2AADORA1ALDH1A1L3MBTL1
SCHEMBL4866634 0.86 ADORA2B (0.45) ADORA2BADORA2AADORA1ALDH1A1L3MBTL1
SCHEMBL4897242 0.85 ADORA2B (0.42) ADORA2BADORA2AADORA1ALDH1A1HSPD1
SCHEMBL4766042 0.84 ALDH1A1 (0.35) ADORA2BADORA2AADORA1ALDH1A1L3MBTL1
SCHEMBL4766036 0.84 ALDH1A1 (0.35) ADORA2BADORA2AADORA1ALDH1A1L3MBTL1
SCHEMBL4858904 0.84 ADORA2B (0.48) ADORA2BADORA2AADORA1ALDH1A1L3MBTL1
SCHEMBL4861944 0.84 ADORA2B (0.47) ADORA2BADORA2AADORA1ALDH1A1L3MBTL1

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.