SCHEMBL6257364

SCHEMBL6257364

C#C[C@H]1O[C@@H](n2cnc3c(N[C@H]4C[C@H]5CCC[C@H]54)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 10/20 0.56
AHCY P23526 1/20 0.56
ADORA3 P0DMS8 3/20 0.54
ADORA2A P29274 2/20 0.54
ADORA2B P29275 2/20 0.54
CYP2D6 P10635 1/20 0.54
TSHR P16473 2/20 0.52
HIF1A Q16665 2/20 0.52
PMP22 Q01453 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.52
SIGMAR1 Q99720 1/20 0.52
SLC29A1 Q99808 1/20 0.52
RXFP1 Q9HBX9 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TP53 P04637 1/20 0.52
NFKB1 P19838 1/20 0.52

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
SCHEMBL6257360 1.00 ADORA1 (0.56) ADORA1AHCYADORA3ADORA2AADORA2B
SCHEMBL5992981 0.88 ADORA2A (0.67) ADORA1AHCYADORA3ADORA2AADORA2B
SCHEMBL5507634 0.88 ADORA2A (0.67) ADORA1AHCYADORA3ADORA2AADORA2B
SCHEMBL5507638 0.88 ADORA2A (0.67) ADORA1AHCYADORA3ADORA2AADORA2B
SCHEMBL5508202 0.87 ADORA1 (0.71) ADORA1AHCYADORA3ADORA2AADORA2B
SCHEMBL6262807 0.87 ADORA1 (0.71) ADORA1AHCYADORA3ADORA2AADORA2B
SCHEMBL6262798 0.87 ADORA1 (0.71) ADORA1AHCYADORA3ADORA2AADORA2B
SCHEMBL6260892 0.87 ADORA1 (0.71) ADORA1AHCYADORA3ADORA2AADORA2B
SCHEMBL5504529 0.86 ADORA2A (0.70) ADORA1ADORA3ADORA2AADORA2BTSHR
SCHEMBL6266706 0.85 AHCY (0.65) ADORA1AHCYADORA3ADORA2AADORA2B

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
EP-1370568-B1 CHEMICAL COMPOUNDS GLAXO GROUP LTD (GB) 2005-10-12 EP claimed
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 claimed
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
EP-1370568-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2003-12-17 EP disclosed
WO-2002074780-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2002-09-26 WO 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 ADORA1 1/4885AHCY 1070/4885ADORA3 4/4885

“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.