SCHEMBL5160224

SCHEMBL5160224

Nc1nc(OCCc2ccccc2)nc2c1ncn2CCCCN1CCCCC1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.47
ADORA2B P29275 5/20 0.47
ADORA1 P30542 5/20 0.47
ADORA3 P0DMS8 3/20 0.47
TLR7 Q9NYK1 7/20 0.46
TMIGD3 P0DMS9 2/20 0.46
SIGMAR1 Q99720 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
TLR9 Q9NR96 1/20 0.44

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
SCHEMBL5163885 0.96 HRH3 (0.50) ADORA2AADORA2BADORA1ADORA3TLR7
SCHEMBL5162367 0.85 ADORA2A (0.56) ADORA2AADORA2BADORA1ADORA3TLR7
SCHEMBL5161857 0.85 ADORA2A (0.61) ADORA2AADORA2BADORA1ADORA3TMIGD3
SCHEMBL5161346 0.85 ADORA2A (0.55) ADORA2AADORA2BADORA1ADORA3TLR7
SCHEMBL5164048 0.82 ADORA2A (0.50) ADORA2AADORA2BADORA1ADORA3TLR7
SCHEMBL5158759 0.82 TLR7 (0.48) ADORA2AADORA2BADORA1TLR7TMIGD3
SCHEMBL5158723 0.82 ADORA3 (0.47) ADORA2AADORA2BADORA1ADORA3TLR7
SCHEMBL5162224 0.82 ADORA2A (0.64) ADORA2AADORA2BADORA1ADORA3TLR7
SCHEMBL5163121 0.82 ADORA2A (0.60) ADORA2AADORA2BADORA1ADORA3TMIGD3
SCHEMBL5160348 0.81 ADORA2A (0.59) ADORA2AADORA2BADORA1ADORA3TLR7

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 1/4885ADORA2B 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.