SCHEMBL13269145

SCHEMBL13269145

COc1ccc(C(C)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 2/20 0.60
PRKAA1 Q13131 2/20 0.60
PRKAB1 Q9Y478 2/20 0.60
AHCY P23526 2/20 0.59
NADK O95544 1/20 0.59
NT5E P21589 1/20 0.59
ADORA1 P30542 5/20 0.58
P2RY1 P47900 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
DOT1L Q8TEK3 2/20 0.58
DNPH1 O43598 1/20 0.58
PRKAB2 O43741 1/20 0.58
TRPM2 O94759 1/20 0.58
LDHA P00338 1/20 0.58
ADRB2 P07550 1/20 0.58
FBP1 P09467 1/20 0.58
SRC P12931 1/20 0.58
P2RY2 P41231 1/20 0.58
PRKAA2 P54646 1/20 0.58
PDE4D Q08499 1/20 0.58

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
SCHEMBL13268853 1.00 PRKAG1 (0.60) PRKAG1PRKAA1PRKAB1AHCYNADK
SCHEMBL13268788 1.00 PRKAG1 (0.60) PRKAG1PRKAA1PRKAB1AHCYNADK
SCHEMBL13269468 0.92 AHCY (0.62) PRKAG1PRKAA1PRKAB1AHCYNADK
SCHEMBL13268675 0.91 AHCY (0.61) PRKAG1PRKAA1PRKAB1AHCYNADK
SCHEMBL13268746 0.91 AHCY (0.61) PRKAG1PRKAA1PRKAB1AHCYNADK
SCHEMBL13269136 0.91 AHCY (0.61) PRKAG1PRKAA1PRKAB1AHCYNADK
SCHEMBL13268925 0.90 AHCY (0.60) PRKAG1PRKAA1PRKAB1AHCYNADK
SCHEMBL13268772 0.90 AHCY (0.60) PRKAG1PRKAA1PRKAB1AHCYNADK
SCHEMBL13268679 0.90 AHCY (0.60) PRKAG1PRKAA1PRKAB1AHCYNADK
SCHEMBL13269107 0.90 AHCY (0.60) PRKAG1PRKAA1PRKAB1AHCYNADK

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 9 patents. 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 claimed
EP-2511283-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-10-17 EP claimed
US-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2019-01-08 US disclosed
WO-2015176542-A1 N6-(1-(4-METHOXYPHENYL)ETHYL)-ADENOSINE, PREPARATION AND USE THEREOF 中国医学科学院药物研究所 2015-11-26 WO disclosed
CN-105085594-A Preparation method and uses of N<6>-(1-(4-methoxyphenyl)ethyl)-adenosine INST MATERIA MEDICA CAMS 2015-11-25 CN disclosed
CN-105085594-A Preparation method and uses of N<6>-(1-(4-methoxyphenyl)ethyl)-adenosine INST MATERIA MEDICA CAMS 2015-11-25 CN disclosed
CN-104382924-A N6-substituted adenosine derivative and N6-substituted adenine derivative and application thereof INST MATERIA MEDICA CAMS 2015-03-04 CN disclosed
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
EP-2511283-A1 N6-SUBSTITUTED ADENOSINE DERIVATIVES, N6-SUBSTITUTED ADENINE DERIVATIVES AND USES THEREOF INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF MEDICAL SCIENCES (CN) 2012-10-17 EP 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 (2 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-10174033-B2 N6-substituted adenosine derivatives and N6-substituted adenine derivatives and uses thereof ADORA2A, ADORA3, ADORA1 PRKAG1 115/4885PRKAA1 341/4885PRKAB1 129/4885
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.