SCHEMBL5458062

SCHEMBL5458062

Nc1nc(OCC2CCCO2)nc2c1nc(O)n2Cc1cccc(CC(=O)O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 9/20 0.42
ALDH1A1 P00352 4/20 0.41
AXL P30530 3/20 0.39
PDE8B O95263 1/20 0.38
MAPT P10636 3/20 0.38
HPGD P15428 3/20 0.38
CASP1 P29466 3/20 0.38
CASP7 P55210 3/20 0.38
HSD17B10 Q99714 3/20 0.38
MEN1 O00255 2/20 0.38
USP2 O75604 2/20 0.38
TSHR P16473 2/20 0.38
KMT2A Q03164 2/20 0.38
ALOX12 P18054 1/20 0.38
PDPK1 O15530 1/20 0.38
ROCK2 O75116 1/20 0.38
INSR P06213 1/20 0.38
LCK P06239 1/20 0.38
RET P07949 1/20 0.38
IGF1R P08069 1/20 0.38

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
SCHEMBL5470209 0.91 TLR7 (0.50) TLR7ALDH1A1AXLPDE8BPDPK1
SCHEMBL12305149 0.89 TLR7 (0.47) TLR7ALDH1A1PDPK1INSRLCK
SCHEMBL5468415 0.87 TLR7 (0.41) TLR7THRB
SCHEMBL5468189 0.83 TLR7 (0.49) TLR7ALDH1A1AXLPDE8BRET
SCHEMBL5464223 0.83 TLR7 (0.49) TLR7
SCHEMBL5467061 0.83 TLR7 (0.51) TLR7
SCHEMBL5464033 0.82 TLR7 (0.48) TLR7
SCHEMBL5459620 0.81 TLR7 (0.50) TLR7
SCHEMBL5459743 0.81 TLR7 (0.52) TLR7
SCHEMBL5465280 0.81 TLR7 (0.49) 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 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 1/4885ALDH1A1 1017/4885AXL 4531/4885

“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.