SCHEMBL4868140

SCHEMBL4868140

CC(C)Cn1c(-c2cnn(-c3ccccc3)c2)c([N+](=O)[O-])c(=O)n(CCc2ccccc2)c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.42
ADORA2B P29275 6/20 0.42
ADORA2A P29274 5/20 0.42
HSP90AA1 P07900 1/20 0.41
ADORA3 P0DMS8 4/20 0.39
MAPT P10636 4/20 0.37
MAPK1 P28482 2/20 0.37
HPGD P15428 3/20 0.36
GAA P10253 3/20 0.36
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HSPD1 P10809 1/20 0.36
HSPE1 P61604 1/20 0.36
CNOT7 Q9UIV1 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PDE1A P54750 1/20 0.35

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
SCHEMBL4866000 0.92 HSP90AA1 (0.47) ADORA1ADORA2BADORA2AHSP90AA1ADORA3
SCHEMBL4859903 0.92 HSP90AA1 (0.44) ADORA1ADORA2BADORA2AHSP90AA1ADORA3
SCHEMBL4863589 0.90 ADORA2B (0.41) ADORA1ADORA2BADORA2AADORA3MAPT
SCHEMBL4866844 0.86 ADORA1 (0.44) ADORA1ADORA2BADORA2AHSP90AA1ADORA3
SCHEMBL4868150 0.85 HSP90AA1 (0.43) ADORA1ADORA2BADORA2AHSP90AA1ADORA3
SCHEMBL4868133 0.83 HSP90AA1 (0.43) ADORA1ADORA2BADORA2AHSP90AA1ADORA3
SCHEMBL4793254 0.82 NPC1 (0.36) ADORA1ADORA2BADORA2AHSP90AA1ADORA3
SCHEMBL4793245 0.82 NPC1 (0.36) ADORA1ADORA2BADORA2AHSP90AA1ADORA3
SCHEMBL4865958 0.82 ADORA2B (0.46) ADORA1ADORA2BADORA2AADORA3
SCHEMBL4859855 0.81 MAPT (0.41) ADORA1ADORA2BADORA2AADORA3MAPT

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 ADORA1 4/4885ADORA2B 1/4885ADORA2A 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.