SCHEMBL5164590

SCHEMBL5164590

C#CCn1c(-c2ccco2)nc2c(N)nc(OCCCc3ccccc3)nc21

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.52
ADORA1 P30542 4/20 0.52
TMIGD3 P0DMS9 3/20 0.52
ADORA2B P29275 3/20 0.52
TLR7 Q9NYK1 13/20 0.48

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
SCHEMBL5161929 0.95 ADORA2A (0.52) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL5158795 0.89 ADORA1 (0.60) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL5161887 0.85 ADORA2A (0.52) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL5161894 0.85 ADORA1 (0.54) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL5163225 0.84 TMIGD3 (0.63) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL5163235 0.84 ADORA1 (0.56) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL5163724 0.84 ADORA1 (0.53) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL5161342 0.84 TMIGD3 (0.62) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL5161084 0.84 ADORA1 (0.58) ADORA2AADORA1TMIGD3ADORA2BTLR7
SCHEMBL5161225 0.83 ADORA1 (0.63) 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.