SCHEMBL6258356

SCHEMBL6258356

C#C[C@H]1O[C@@H](n2cnc3c(Nc4ccc(Cl)cc4F)nc(Cl)nc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 11/20 0.57
ADORA1 P30542 8/20 0.57
ADORA2A P29274 7/20 0.57
ADORA2B P29275 3/20 0.54
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ACHE P22303 4/20 0.42
NT5E P21589 2/20 0.40

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
SCHEMBL6258361 1.00 ADORA3 (0.57) ADORA3ADORA1ADORA2AADORA2BALDH1A1
SCHEMBL6258364 1.00 ADORA3 (0.57) ADORA3ADORA1ADORA2AADORA2BALDH1A1
SCHEMBL6262450 0.90 ADORA3 (0.57) ADORA3ADORA1ADORA2AADORA2BACHE
SCHEMBL6262448 0.90 ADORA3 (0.57) ADORA3ADORA1ADORA2AADORA2BACHE
SCHEMBL6262446 0.90 ADORA3 (0.57) ADORA3ADORA1ADORA2AADORA2BACHE
SCHEMBL6262050 0.88 ADORA3 (0.48) ADORA3ADORA1ADORA2AADORA2BALDH1A1
SCHEMBL6262046 0.88 ADORA3 (0.48) ADORA3ADORA1ADORA2AADORA2BALDH1A1
SCHEMBL6262051 0.88 ADORA3 (0.48) ADORA3ADORA1ADORA2AADORA2BALDH1A1
SCHEMBL6573858 0.85 ALDH1A1 (0.66) ADORA3ADORA1ADORA2AADORA2BALDH1A1
SCHEMBL6573849 0.85 ALDH1A1 (0.66) ADORA3ADORA1ADORA2AADORA2BALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1370568-B1 CHEMICAL COMPOUNDS GLAXO GROUP LTD (GB) 2005-10-12 EP disclosed
US-20040162422-A1 adenosine derivatives having an acetylene group in the 4' position, which are adenosine A1 agonists; treating ischaemic heart disease, peripheral vascular disease or stroke or patient suffering pain, a CNS disorder, sleep apnoea or emesis HALL ADRIAN (GB) 2004-08-19 US 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-20040162422-A1 adenosine derivatives having an acetylene group in the 4' position, which are adenosine A1 agonists; treating ischaemic heart disease, peripheral vascular disease or stroke or patient suffering pain, a CNS disorder, sleep apnoea or emesis ADORA1, ADORA2A, ADORA2B ADORA3 4/4885ADORA1 1/4885ADORA2A 2/4885

“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.