SCHEMBL14224934

SCHEMBL14224934

CCCCCc1nc(N)c2nc(OC)[nH]c2n1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.40
ADORA1 P30542 5/20 0.40
ADORA2B P29275 3/20 0.40
ADORA3 P0DMS8 1/20 0.40
TLR7 Q9NYK1 3/20 0.36
PI4KA P42356 1/20 0.33
PI4K2B Q8TCG2 1/20 0.33
PI4K2A Q9BTU6 1/20 0.33
PI4KB Q9UBF8 1/20 0.33
HCAR2 Q8TDS4 1/20 0.32
CCNB2 O95067 1/20 0.31
CDK1 P06493 1/20 0.31
CCNB1 P14635 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
CCNB3 Q8WWL7 1/20 0.31
TLR8 Q9NR97 1/20 0.30
PDE8B O95263 1/20 0.30

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
SCHEMBL12157547 0.78 ADORA2A (0.39) ADORA2AADORA1ADORA2BADORA3TLR7
SCHEMBL731519 0.76 TLR7 (0.41) TLR7
SCHEMBL10121602 0.76 ADORA2A (0.42) ADORA2AADORA1ADORA2BADORA3TLR7
SCHEMBL1840765 0.73 DHFR (0.38)
SCHEMBL12857099 0.72 CYP1A2 (0.38) ADORA2AADORA1ADORA2BADORA3
SCHEMBL1146282 0.72 PDE4B (0.34) ADORA2AADORA1ADORA2BADORA3TLR7
SCHEMBL10121590 0.72 ADORA3 (0.32) ADORA2AADORA1ADORA3
SCHEMBL4551801 0.71 ADORA2A (0.44) ADORA2AADORA1ADORA2BADORA3TLR7
SCHEMBL13811523 0.70
SCHEMBL12157746 0.69 TLR7 (0.40) TLR7TLR8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575340-B2 Purine derivatives and their pharmaceutical uses GLAXOSMITHKLINE LLC (US) 2013-11-05 US disclosed
US-20120315291-A1 PURINE DERIVATIVES AND THEIR PHARMACEUTICAL USES GLAXOSMITHKLINE LLC (US) 2012-12-13 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-20120315291-A1 PURINE DERIVATIVES AND THEIR PHARMACEUTICAL USES STING1, IFNG, IRF3 ADORA2A 48/4885ADORA1 23/4885ADORA2B 42/4885

“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.