SCHEMBL6256707

SCHEMBL6256707

C#C[C@H]1O[C@@H](n2cnc3c(N[C@H]4CC[C@H](O)CC4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 1/20 0.62
ADORA2A P29274 5/20 0.60
TSHR P16473 3/20 0.60
ADORA2B P29275 3/20 0.60
ADORA3 P0DMS8 3/20 0.60
ADORA1 P30542 3/20 0.60
PMP22 Q01453 2/20 0.60
GAA P10253 1/20 0.60
HTT P42858 1/20 0.60
SIGMAR1 Q99720 1/20 0.60
SLC29A1 Q99808 1/20 0.60
RXFP1 Q9HBX9 1/20 0.60
MEN1 O00255 1/20 0.60
KMT2A Q03164 1/20 0.60
TP53 P04637 1/20 0.60
NFKB1 P19838 1/20 0.60
HIF1A Q16665 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.59
TDP1 Q9NUW8 1/20 0.59
CYP2C19 P33261 1/20 0.59

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
SCHEMBL6257699 1.00 AHCY (0.62) AHCYADORA2ATSHRADORA2BADORA3
SCHEMBL6266706 0.97 AHCY (0.65) AHCYADORA2ATSHRADORA2BADORA3
SCHEMBL6259026 0.97 AHCY (0.65) AHCYADORA2ATSHRADORA2BADORA3
SCHEMBL5507638 0.93 ADORA2A (0.67) AHCYADORA2ATSHRADORA2BADORA3
SCHEMBL5992981 0.93 ADORA2A (0.67) AHCYADORA2ATSHRADORA2BADORA3
SCHEMBL5507634 0.93 ADORA2A (0.67) AHCYADORA2ATSHRADORA2BADORA3
SCHEMBL5504529 0.93 ADORA2A (0.70) ADORA2ATSHRADORA2BADORA3ADORA1
SCHEMBL5510434 0.92 ADORA2A (0.70) ADORA2ATSHRADORA2BADORA3ADORA1
SCHEMBL6257614 0.91 ADORA2A (0.69) AHCYADORA2ATSHRADORA2BADORA3
SCHEMBL6262038 0.89 ADORA3 (0.59) AHCYADORA2ATSHRADORA2BADORA3

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 8 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-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2003-12-17 EP claimed
WO-2002074780-A1 CHEMICAL COMPOUNDS GLAXO GROUP LIMITED (GB) 2002-09-26 WO 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 AHCY 1070/4885ADORA2A 2/4885TSHR 2490/4885

“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.