SCHEMBL6466865

SCHEMBL6466865

CC(=O)OC[C@H]1O[C@@H](n2cnc3c(NCc4ccc(N)cc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.75

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC29A1 Q99808 3/20 0.75
CYP3A4 P08684 2/20 0.69
TSHR P16473 2/20 0.69
NFKB1 P19838 1/20 0.69
BLM P54132 1/20 0.69
PMP22 Q01453 1/20 0.69
ALDH1A1 P00352 1/20 0.69
DNPH1 O43598 1/20 0.63
LMNA P02545 1/20 0.62
MAPT P10636 1/20 0.62
NPSR1 Q6W5P4 1/20 0.62
MAPK1 P28482 1/20 0.62
ADORA3 P0DMS8 4/20 0.62
TP53 P04637 1/20 0.61
TDP1 Q9NUW8 1/20 0.61

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
SCHEMBL14689560 0.86 DNPH1 (0.84) SLC29A1CYP3A4TSHRNFKB1BLM
SCHEMBL14714087 0.86 ADORA3 (0.60) SLC29A1DNPH1ADORA3
SCHEMBL14713256 0.86 SLC29A1 (1.00) SLC29A1CYP3A4TSHRLMNAMAPT
SCHEMBL639975 0.86 SLC29A1 (1.00) SLC29A1CYP3A4TSHRLMNAMAPT
SCHEMBL30716127 0.86 SLC29A1 (1.00) SLC29A1CYP3A4TSHRLMNAMAPT
SCHEMBL17825968 0.86 SLC29A1 (1.00) SLC29A1CYP3A4TSHRLMNAMAPT
SCHEMBL639974 0.86 SLC29A1 (1.00) SLC29A1CYP3A4TSHRLMNAMAPT
SCHEMBL20626395 0.86 SLC29A1 (1.00) SLC29A1CYP3A4TSHRLMNAMAPT
SCHEMBL20626394 0.86 SLC29A1 (1.00) SLC29A1CYP3A4TSHRLMNAMAPT
SCHEMBL19583027 0.86 SLC29A1 (1.00) SLC29A1CYP3A4TSHRLMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050203065-A1 Method of treating ischemia reperfusion injury using adenosine receptor antagonists SMITS GLENN J (US) 2005-09-15 US disclosed
EP-1069126-B1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMA CO LTD (JP) 2003-05-28 EP disclosed
EP-1069126-A1 TRIAZOLOPURINE DERIVATIVES, MEDICINAL COMPOSITION CONTAINING THE DERIVATIVES, ADENOSINE A3 RECEPTOR COMPATIBILIZING AGENT, AND ASTHMATIC REMEDY OTSUKA PHARMACEUTICAL FACTORY, INC. (JP) 2001-01-17 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-20050203065-A1 Method of treating ischemia reperfusion injury using adenosine receptor antagonists ADORA2B, ADORA2A, ADORA3 SLC29A1 228/4885CYP3A4 3840/4885TSHR 628/4885

“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.