SCHEMBL6258901

SCHEMBL6258901

C#C[C@H]1O[C@@H](n2cnc3c(Nc4cc(C)ccc4F)ncnc32)[C@H](OC(C)=O)[C@@H]1OC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRKAB2 O43741 1/20 0.49
PRKAG1 P54619 1/20 0.49
PRKAA2 P54646 1/20 0.49
PRKAA1 Q13131 1/20 0.49
PRKAG3 Q9UGI9 1/20 0.49
PRKAG2 Q9UGJ0 1/20 0.49
PRKAB1 Q9Y478 1/20 0.49
ADORA3 P0DMS8 4/20 0.43
ADORA1 P30542 4/20 0.43
ADORA2A P29274 4/20 0.43
ADORA2B P29275 3/20 0.42
PRMT6 Q96LA8 1/20 0.40
AHCY P23526 1/20 0.37

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
SCHEMBL6258905 1.00 PRKAB2 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6258904 1.00 PRKAB2 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6262450 0.88 ADORA3 (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6262446 0.88 ADORA3 (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6262448 0.88 ADORA3 (0.57) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6259846 0.88 PRKAB2 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6260475 0.88 PRKAB2 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6260466 0.88 PRKAB2 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6260478 0.88 PRKAB2 (0.49) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3
SCHEMBL6259855 0.88 PRKAB2 (0.51) PRKAB2PRKAG1PRKAA2PRKAA1PRKAG3

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 PRKAB2 453/4885PRKAG1 191/4885PRKAA2 747/4885

“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.