SCHEMBL6257374

SCHEMBL6257374

C#C[C@H]1O[C@@H](n2cnc3c(Nc4cccc(F)c4C)nc(Cl)nc32)[C@H](O)[C@@H]1O

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 14/20 0.54
ADORA1 P30542 10/20 0.54
ADORA2A P29274 8/20 0.54
ADORA2B P29275 4/20 0.51
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
MAPK1 P28482 1/20 0.46
KMT2A Q03164 1/20 0.46

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
SCHEMBL6257602 0.87 AHCY (0.56) ADORA3ADORA1ADORA2AADORA2BCYP1A2
SCHEMBL6258782 0.85 ADORA3 (0.74) ADORA3ADORA1ADORA2AADORA2BMEN1
SCHEMBL6262046 0.85 ADORA3 (0.48) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6262050 0.85 ADORA3 (0.48) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6262051 0.85 ADORA3 (0.48) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6261537 0.80 AHCY (0.57) ADORA3ADORA1ADORA2AADORA2BCYP1A2
SCHEMBL6257595 0.77 AHCY (0.57) ADORA3ADORA1ADORA2AADORA2BCYP1A2
SCHEMBL6743033 0.76 AHCY (0.56) ADORA3ADORA1ADORA2AADORA2BCYP1A2
SCHEMBL6259472 0.74 ADORA3 (0.73) ADORA3ADORA1ADORA2AADORA2B
SCHEMBL6258939 0.74 AHCY (0.55) ADORA3ADORA1ADORA2AADORA2BCYP1A2

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 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.