SCHEMBL5159052

SCHEMBL5159052

CC/C=C/CCCn1c(Br)nc2c(N)nc(NCCCc3ccccc3)nc21

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.77
ADORA1 P30542 15/20 0.77
TMIGD3 P0DMS9 12/20 0.77
ADORA2B P29275 12/20 0.77
CFTR P13569 1/20 0.43
TLR7 Q9NYK1 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL5159061 1.00 ADORA2A (0.77) ADORA2AADORA1TMIGD3ADORA2BCFTR
SCHEMBL5161275 0.95 ADORA2A (0.75) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL5161269 0.95 ADORA2A (0.75) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL5162900 0.88 ADORA2A (0.88) ADORA2AADORA1TMIGD3ADORA2BCFTR
SCHEMBL5160324 0.87 ADORA2A (1.00) ADORA2AADORA1TMIGD3ADORA2BCFTR
SCHEMBL5160440 0.87 ADORA2A (0.86) ADORA2AADORA1TMIGD3ADORA2BCFTR
SCHEMBL5162998 0.86 ADORA1 (0.86) ADORA2AADORA1TMIGD3ADORA2BCFTR
SCHEMBL5164010 0.85 ADORA2A (0.84) ADORA2AADORA1TMIGD3ADORA2BCFTR
SCHEMBL5161950 0.84 ADORA2A (0.80) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL5161956 0.84 ADORA2A (0.80) ADORA2AADORA1TMIGD3ADORA2BTLR7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189730-B2 A2A adenosine receptor antagonists CV THERAPEUTICS, INC. (US) 2007-03-13 US disclosed
EP-1456209-B1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS INC (US) 2007-02-28 EP disclosed
US-20030149060-A1 A2A adenosine receptor antagonists CV THERAPEUTICS, INC. 2003-08-07 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-20030149060-A1 A2A adenosine receptor antagonists ADORA2A, ADORA2B, ADORA3 ADORA2A 1/4885ADORA1 4/4885TMIGD3 1730/4885

“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.