SCHEMBL5457974

SCHEMBL5457974

Nc1nc(CCCO)nc2c1nc(O)n2Cc1cccc(CC(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.42
ADORA1 P30542 6/20 0.37
ADORA2A P29274 5/20 0.37
ADORA2B P29275 3/20 0.37
MAPK1 P28482 1/20 0.36
ITGB3 P05106 1/20 0.35
ITGA2B P08514 1/20 0.35
TLR8 Q9NR97 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
USP28 Q96RU2 1/20 0.34
USP25 Q9UHP3 1/20 0.34

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
SCHEMBL5472433 0.91 TLR7 (0.40) TLR7ADORA1ADORA2AADORA2BITGB3
SCHEMBL5468632 0.88 TLR7 (0.47) TLR7ADORA1ADORA2A
SCHEMBL5459620 0.85 TLR7 (0.50) TLR7
SCHEMBL5465280 0.84 TLR7 (0.49) TLR7
SCHEMBL5464413 0.84 MAPK1 (0.40) TLR7ADORA1MAPK1ITGB3ITGA2B
SCHEMBL5462434 0.84 MAPK1 (0.39) TLR7ADORA1MAPK1ITGB3ITGA2B
SCHEMBL10309736 0.83 TLR7 (0.44) TLR7ITGB3ITGA2BUSP28USP25
SCHEMBL2060546 0.83 MAPK1 (0.38) TLR7ADORA1ADORA2AMAPK1ITGB3
SCHEMBL5472421 0.82 CYP4F2 (0.49) TLR7ADORA1ADORA2AADORA2BTLR8
SCHEMBL2060356 0.82 MAPK1 (0.45) TLR7ADORA1MAPK1ITGB3ITGA2B

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 6 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 claimed
EP-1728792-A1 8-OXOADENINE COMPOUND Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-06 EP claimed
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 1/4885ADORA1 23/4885ADORA2A 22/4885

“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.