SCHEMBL14714023

SCHEMBL14714023

OC[C@H]1O[C@@H](n2cnc3c(NCCc4ccc(O)c(O)c4)ncnc32)C(O)[C@H]1O

nearest known ligand 0.83

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 1/20 0.83
PRKAA1 Q13131 1/20 0.83
PRKAB1 Q9Y478 1/20 0.83
TSHR P16473 2/20 0.77
LMNA P02545 1/20 0.77
MAPT P10636 1/20 0.77
NPSR1 Q6W5P4 1/20 0.77
CYP3A4 P08684 1/20 0.77
MAPK1 P28482 1/20 0.77
ADORA3 P0DMS8 5/20 0.77
ADORA1 P30542 4/20 0.77
ADORA2A P29274 3/20 0.77
NFKB1 P19838 1/20 0.77
THPO P40225 1/20 0.77
SLC29A1 Q99808 2/20 0.66
TP53 P04637 1/20 0.65
TDP1 Q9NUW8 1/20 0.65

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
SCHEMBL27881268 1.00 PRKAG1 (0.83) PRKAG1PRKAA1PRKAB1TSHRLMNA
SCHEMBL20626253 1.00 PRKAG1 (0.83) PRKAG1PRKAA1PRKAB1TSHRLMNA
SCHEMBL14713300 1.00 PRKAG1 (0.83) PRKAG1PRKAA1PRKAB1TSHRLMNA
SCHEMBL20626252 1.00 PRKAG1 (0.83) PRKAG1PRKAA1PRKAB1TSHRLMNA
SCHEMBL12579545 0.91 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1ADORA3ADORA1
SCHEMBL20626291 0.91 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1ADORA3ADORA1
SCHEMBL14713280 0.91 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1ADORA3ADORA1
SCHEMBL17825902 0.91 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1ADORA3ADORA1
SCHEMBL639763 0.91 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1ADORA3ADORA1
SCHEMBL19582987 0.91 PRKAG1 (1.00) PRKAG1PRKAA1PRKAB1ADORA3ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2013-02-21 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-20130045942-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES AND N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF ADORA2A, ADORA3, ADORA1 PRKAG1 115/4885PRKAA1 341/4885PRKAB1 129/4885

“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.