SCHEMBL6262148

SCHEMBL6262148

C#C[C@H]1O[C@@H](n2cnc3c(NC4CCN(C(=O)OCC)CC4)ncnc32)[C@@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 5/20 0.49
ADORA3 P0DMS8 5/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ADORA2A P29274 3/20 0.45
ADORA2B P29275 3/20 0.45
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
KDM4E B2RXH2 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL6262142 1.00 ADORA1 (0.49) ADORA1ADORA3MEN1KMT2AADORA2A
SCHEMBL6259825 0.89 ADORA3 (0.50) ADORA1ADORA3MEN1KMT2AADORA2A
SCHEMBL6259829 0.89 ADORA3 (0.50) ADORA1ADORA3MEN1KMT2AADORA2A
SCHEMBL6740026 0.89 ADORA3 (0.50) ADORA1ADORA3MEN1KMT2AADORA2A
SCHEMBL6259427 0.89 MEN1 (0.53) ADORA1ADORA3MEN1KMT2AADORA2A
SCHEMBL6259412 0.89 MEN1 (0.53) ADORA1ADORA3MEN1KMT2AADORA2A
SCHEMBL6259431 0.89 MEN1 (0.53) ADORA1ADORA3MEN1KMT2AADORA2A
SCHEMBL6263758 0.88 MEN1 (0.56) ADORA1ADORA3MEN1KMT2AADORA2A
SCHEMBL6262799 0.87 ADORA1 (0.58) ADORA1ADORA3MEN1KMT2AADORA2A
SCHEMBL6258962 0.87 MEN1 (0.50) ADORA1ADORA3MEN1KMT2AADORA2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1/4885ADORA3 4/4885MEN1 3314/4885

“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.