SCHEMBL6257609

SCHEMBL6257609

C#C[C@H]1O[C@@H](n2cnc3c(Nc4ccc(C)cc4)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHCY P23526 1/20 0.61
ADORA1 P30542 2/20 0.57
LMNA P02545 2/20 0.56
ALDH1A1 P00352 1/20 0.56
GLA P06280 1/20 0.56
PMP22 Q01453 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
NPC1 O15118 1/20 0.56
NPY1R P25929 1/20 0.56
HTT P42858 1/20 0.56
NPY2R P49146 1/20 0.56
RAB9A P51151 1/20 0.56
SLC29A1 Q99808 1/20 0.56
RXFP1 Q9HBX9 1/20 0.56
CYP1A2 P05177 1/20 0.56
TSHR P16473 1/20 0.56
NFKB1 P19838 1/20 0.56
MAPK1 P28482 1/20 0.56
CYP2C19 P33261 1/20 0.56
THPO P40225 1/20 0.56

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
SCHEMBL5509078 0.90 AHCY (0.61) AHCYADORA1LMNAALDH1A1GLA
SCHEMBL5508013 0.90 LMNA (0.70) AHCYADORA1LMNAALDH1A1GLA
SCHEMBL6257355 0.86 ADORA1 (0.59) AHCYADORA1LMNAALDH1A1GLA
SCHEMBL6257340 0.85 AHCY (0.60) AHCYADORA1LMNAALDH1A1GLA
SCHEMBL6258939 0.85 AHCY (0.55) AHCYADORA1LMNAALDH1A1GLA
SCHEMBL5504127 0.83 AHCY (0.58) AHCYADORA1LMNAALDH1A1GLA
SCHEMBL16363303 0.83 LMNA (0.81) ADORA1LMNAALDH1A1GLAPMP22
SCHEMBL16605526 0.83 LMNA (0.81) ADORA1LMNAALDH1A1GLAPMP22
SCHEMBL6261537 0.83 AHCY (0.57) AHCYADORA1LMNAALDH1A1GLA
SCHEMBL6258196 0.82 PRKAB2 (0.55) ADORA1ADORA2AADORA2B

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 1070/4885ADORA1 1/4885LMNA 2276/4885

“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.