SCHEMBL5474204

SCHEMBL5474204

COC(=O)CCc1nc(N)c2nc(Br)n(Cc3cccc(CC(=O)OC)c3)c2n1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 5/20 0.46
▸ ADORA2A P29274 5/20 0.42
▸ ADORA1 P30542 5/20 0.42
▸ SLC7A5 Q01650 1/20 0.38
▸ TMIGD3 P0DMS9 3/20 0.38
▸ ADORA2B P29275 3/20 0.38
▸ KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5462375 0.91 TLR7 (0.46) TLR7ADORA2AADORA1SLC7A5TMIGD3
SCHEMBL5464032 0.90 TLR7 (0.47) TLR7SLC7A5KDM4E
SCHEMBL5467035 0.86 TLR7 (0.49) TLR7ADORA2AADORA1SLC7A5TMIGD3
SCHEMBL2060301 0.85 TLR7 (0.48) TLR7ADORA2AADORA1SLC7A5TMIGD3
SCHEMBL5468453 0.83 TLR7 (0.44) TLR7ADORA2AADORA1SLC7A5TMIGD3
SCHEMBL2060315 0.82 ADORA2A (0.38) TLR7ADORA2AADORA1TMIGD3ADORA2B
SCHEMBL5467025 0.82 TLR7 (0.45) TLR7ADORA2AADORA1
SCHEMBL2060118 0.81 TLR7 (0.69) TLR7
SCHEMBL5464183 0.81 TLR7 (0.55) TLR7ADORA2AADORA1
SCHEMBL5470899 0.81 TLR7 (0.59) TLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070225303-A1 8-Oxoadenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-09-27 — — US disclosed
US-20070225303-A1 8-Oxoadenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-09-27 — — US disclosed
US-20070225303-A1 8-Oxoadenine Compound DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-09-27 — — US disclosed
EP-1728792-A1 8-OXOADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-06 — — EP 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-20070225303-A1 8-Oxoadenine Compound TLR7, CCR8, TLR8 TLR7 1/4885ADORA2A 22/4885ADORA1 23/4885

“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.

Send feedback