SCHEMBL5161852

SCHEMBL5161852

CCc1nc2c(N)nc(OCCc3ccccc3)nc2n1-c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.51
PI4KA P42356 1/20 0.47
PI4K2B Q8TCG2 1/20 0.47
PI4K2A Q9BTU6 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
ADORA2A P29274 2/20 0.45
ADORA2B P29275 2/20 0.45
ADORA3 P0DMS8 1/20 0.45
ADORA1 P30542 1/20 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
SCHEMBL5163111 0.94 TLR7 (0.53) TLR7PI4KAPI4K2BPI4K2API4KB
SCHEMBL5161917 0.92 TLR7 (0.51) TLR7ADORA2AADORA2B
SCHEMBL5159098 0.87 TLR7 (0.52) TLR7
SCHEMBL5162427 0.78 ABCB1 (0.48) TLR7PI4KAPI4K2BPI4K2API4KB
SCHEMBL5158930 0.78 ADORA2A (0.50) TLR7ADORA2AADORA2BADORA3ADORA1
SCHEMBL5161117 0.77 ADORA2A (0.59) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL5160552 0.76 TLR7 (0.54) TLR7ADORA2AADORA2BADORA3ADORA1
SCHEMBL5177679 0.76 PI4KA (0.46) TLR7PI4KAPI4K2BPI4K2API4KB
SCHEMBL5163812 0.76 ADORA1 (0.60) TLR7PI4KAPI4K2BPI4K2API4KB
SCHEMBL3441050 0.75 PI4KA (0.49) TLR7PI4KAPI4K2BPI4K2API4KB

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 1301/4885PI4KA 1091/4885PI4K2B 773/4885

“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.