SCHEMBL14714072

SCHEMBL14714072

COC[C@H]1O[C@@H](n2cnc3c(NC(C)c4cc(OC)c(OC)c(OC)c4)ncnc32)C(O)[C@H]1O

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PRKAG1 P54619 1/20 0.64
▸ PRKAA1 Q13131 1/20 0.64
▸ PRKAB1 Q9Y478 1/20 0.64
▸ ADORA3 P0DMS8 3/20 0.59
▸ ADORA1 P30542 1/20 0.56
▸ ADORA2A P29274 1/20 0.53
▸ ADORA2B P29275 1/20 0.53

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
SCHEMBL20626293 0.92 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1
SCHEMBL14714052 0.92 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1
SCHEMBL14713327 0.92 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1
SCHEMBL27881273 0.92 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1
SCHEMBL20626294 0.92 PRKAG1 (0.75) PRKAG1PRKAA1PRKAB1
SCHEMBL20626270 0.91 PRKAG1 (0.60) PRKAG1PRKAA1PRKAB1ADORA3ADORA2A
SCHEMBL20626266 0.91 PRKAG1 (0.60) PRKAG1PRKAA1PRKAB1ADORA3ADORA2A
SCHEMBL14713326 0.91 PRKAG1 (0.60) PRKAG1PRKAA1PRKAB1ADORA3ADORA2A
SCHEMBL14714085 0.91 PRKAG1 (0.60) PRKAG1PRKAA1PRKAB1ADORA3ADORA2A
SCHEMBL14714029 0.91 PRKAG1 (0.60) 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.

Send feedback