SCHEMBL5164692

SCHEMBL5164692

Nc1nc(NCCc2ccccc2)nc2c1ncn2CCCc1ccncc1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.74
ADORA1 P30542 8/20 0.74
TMIGD3 P0DMS9 6/20 0.74
ADORA2B P29275 5/20 0.74
CFTR P13569 1/20 0.52
ADORA3 P0DMS8 1/20 0.47
CTSL P07711 1/20 0.47
MKNK1 Q9BUB5 1/20 0.46
MKNK2 Q9HBH9 1/20 0.46

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
SCHEMBL5357328 0.96 ADORA2A (0.77) ADORA2AADORA1TMIGD3ADORA2BCFTR
SCHEMBL5161127 0.88 ADORA2A (0.85) ADORA2AADORA1TMIGD3ADORA2BCFTR
SCHEMBL5161335 0.86 ADORA1 (0.86) ADORA2AADORA1TMIGD3ADORA2BCFTR
SCHEMBL5163818 0.86 ADORA2A (0.85) ADORA2AADORA1TMIGD3ADORA2BCFTR
SCHEMBL5164008 0.85 ADORA1 (0.84) ADORA2AADORA1TMIGD3ADORA2BCFTR
SCHEMBL5162113 0.85 ADORA1 (1.00) ADORA2AADORA1TMIGD3ADORA2BADORA3
SCHEMBL7209277 0.83 ADORA2A (0.80) ADORA2AADORA1TMIGD3ADORA2BCFTR
SCHEMBL5161353 0.83 TMIGD3 (0.88) ADORA2AADORA1TMIGD3ADORA2BCFTR
SCHEMBL5161098 0.83 ADORA2A (1.00) ADORA2AADORA1TMIGD3ADORA2BCFTR
SCHEMBL5161260 0.83 ADORA1 (0.70) ADORA2AADORA1TMIGD3ADORA2BCFTR

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.