SCHEMBL6257595

SCHEMBL6257595

C#C[C@H]1O[C@@H](n2cnc3c(Nc4cccc(Cl)c4F)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 1/20 0.57
ADORA3 P0DMS8 3/20 0.54
ADORA2A P29274 3/20 0.54
ADORA1 P30542 3/20 0.54
ADORA2B P29275 2/20 0.54
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
GLA P06280 1/20 0.48
PMP22 Q01453 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
NPC1 O15118 1/20 0.48
NPY1R P25929 1/20 0.48
HTT P42858 1/20 0.48
NPY2R P49146 1/20 0.48
RAB9A P51151 1/20 0.48
SLC29A1 Q99808 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
CYP1A2 P05177 1/20 0.48
TSHR P16473 1/20 0.48
NFKB1 P19838 1/20 0.48

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
SCHEMBL6261537 0.89 AHCY (0.57) AHCYADORA3ADORA2AADORA1ADORA2B
SCHEMBL6260861 0.88 ADORA3 (0.57) AHCYADORA3ADORA2AADORA1ADORA2B
SCHEMBL6257602 0.86 AHCY (0.56) AHCYADORA3ADORA2AADORA1ADORA2B
SCHEMBL6743033 0.86 AHCY (0.56) AHCYADORA3ADORA2AADORA1ADORA2B
SCHEMBL6259472 0.85 ADORA3 (0.73) AHCYADORA3ADORA2AADORA1ADORA2B
SCHEMBL6256739 0.84 ADORA3 (0.61) AHCYADORA3ADORA2AADORA1ADORA2B
SCHEMBL6257340 0.84 AHCY (0.60) AHCYADORA3ADORA2AADORA1LMNA
SCHEMBL6261658 0.83 PRKAB2 (0.51) ADORA3ADORA2AADORA1ADORA2BLMNA
SCHEMBL6261660 0.83 PRKAB2 (0.51) ADORA3ADORA2AADORA1ADORA2BLMNA
SCHEMBL6261656 0.83 PRKAB2 (0.51) ADORA3ADORA2AADORA1ADORA2BLMNA

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 1070/4885ADORA3 4/4885ADORA2A 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.