SCHEMBL5161280

SCHEMBL5161280

CC(F)Cn1c(Br)nc2c(N)nc(OCCc3ccccc3)nc21

nearest known ligand 0.48

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 15/20 0.48
ADORA2A P29274 5/20 0.47
ADORA1 P30542 5/20 0.47
TMIGD3 P0DMS9 3/20 0.45
ADORA2B P29275 3/20 0.45

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
SCHEMBL5163041 0.95 TLR7 (0.49) TLR7ADORA2AADORA1TMIGD3ADORA2B
SCHEMBL5163199 0.92 ADORA2A (0.52) TLR7ADORA2AADORA1TMIGD3ADORA2B
SCHEMBL5161055 0.86 ADORA2A (0.51) TLR7ADORA2AADORA1TMIGD3ADORA2B
SCHEMBL5160552 0.86 TLR7 (0.54) TLR7ADORA2AADORA1TMIGD3ADORA2B
SCHEMBL5158707 0.85 ADORA2A (0.65) TLR7ADORA2AADORA1TMIGD3ADORA2B
SCHEMBL5163881 0.84 ADORA2A (0.64) TLR7ADORA2AADORA1TMIGD3ADORA2B
SCHEMBL5161186 0.82 ADORA1 (0.51) TLR7ADORA2AADORA1TMIGD3ADORA2B
SCHEMBL5163983 0.81 TLR7 (0.58) TLR7ADORA2AADORA1TMIGD3ADORA2B
SCHEMBL5158930 0.81 ADORA2A (0.50) TLR7ADORA2AADORA1TMIGD3ADORA2B
SCHEMBL5162145 0.81 ADORA2A (0.50) ADORA2AADORA1TMIGD3ADORA2B

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 TLR7 1301/4885ADORA2A 1/4885ADORA1 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.