SCHEMBL5458019

SCHEMBL5458019

Nc1nc(SCCCCO)nc2c1nc(O)n2Cc1cccc(CC(=O)OCCO)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.40
MAPK1 P28482 1/20 0.35
ADORA3 P0DMS8 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CASP1 P29466 1/20 0.31
CASP7 P55210 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ADORA1 P30542 1/20 0.31

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
SCHEMBL5469562 0.91 TLR7 (0.44) TLR7MAPK1ALDH1A1GAA
SCHEMBL5462434 0.89 MAPK1 (0.39) TLR7MAPK1ADORA3ADORA1
SCHEMBL5459732 0.88 TLR7 (0.45) TLR7MAPK1ALDH1A1GAA
SCHEMBL5464413 0.86 MAPK1 (0.40) TLR7MAPK1ADORA3ADORA1
SCHEMBL2060058 0.84 TLR7 (0.45) TLR7MAPK1KDM4EALDH1A1GLA
SCHEMBL5458033 0.83 TLR7 (0.51) TLR7
SCHEMBL2060356 0.82 MAPK1 (0.45) TLR7MAPK1ADORA3ALDH1A1GAA
SCHEMBL5467077 0.82 TLR7 (0.50) TLR7KDM4EALDH1A1GLAGAA
SCHEMBL7208584 0.81 MAPK1 (0.47) TLR7MAPK1ADORA3TSHRADORA1
SCHEMBL5468687 0.80 TLR7 (0.62) 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 5 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
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 1/4885MAPK1 2737/4885ADORA3 34/4885

“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.