SCHEMBL518541

SCHEMBL518541

COc1ccc(C(=O)C2CCN(C(=O)c3ccc(C(=O)Nc4ccc(Oc5ccc(F)cc5)nc4)cn3)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 15/20 0.76
PRKAB2 O43741 7/20 0.63
PRKAG1 P54619 7/20 0.63
PRKAA1 Q13131 7/20 0.63
PRKAG3 Q9UGI9 7/20 0.63
PRKAG2 Q9UGJ0 7/20 0.63
PRKAB1 Q9Y478 7/20 0.63
CYP1A2 P05177 1/20 0.58
GAA P10253 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
ALDH1A1 P00352 1/20 0.57
LMNA P02545 1/20 0.57
HSD11B1 P28845 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.57
GLA P06280 1/20 0.56
MAPK1 P28482 1/20 0.56
KCNH2 Q12809 1/20 0.52

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
SCHEMBL519331 0.94 PRKAA2 (0.81) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL15308356 0.93 PRKAA2 (0.78) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518343 0.93 PRKAA2 (0.68) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518250 0.93 PRKAA2 (0.70) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518102 0.91 PRKAA2 (0.69) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518715 0.91 PRKAA2 (0.64) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518022 0.91 PRKAA2 (0.73) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518804 0.91 PRKAA2 (0.72) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL15171530 0.91 PRKAA2 (0.63) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3
SCHEMBL518559 0.90 PRKAA2 (0.87) PRKAA2PRKAB2PRKAG1PRKAA1PRKAG3

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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2018-03-01 US claimed
WO-2015048547-A2 METHODS FOR USING AND BIOMARKERS FOR AMPK-ACTIVATING COMPOUNDS RIGEL PHARMACEUTICALS, INC. (US) 2015-04-02 WO claimed
EP-2598483-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME Rigel Pharmaceuticals, Inc. (US) 2013-06-05 EP claimed
WO-2012016217-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 WO claimed
US-20120028954-A1 Substituted Pyridine, Pyridazine, Pyrazine And Pyrimidine Compounds And Methods For Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 US claimed
US-10941134-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-10941134-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2021-03-09 US disclosed
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2019-08-13 US disclosed
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2019-08-13 US disclosed
US-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2018-03-01 US disclosed
US-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2018-03-01 US disclosed
US-9663496-B2 AMPK-activating heterocyclic compounds and methods for using the same RIGEL PHARMACEUTICALS, INC. (US) 2017-05-30 US disclosed
US-20130267701-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME MIDCAP FINANCIAL TRUST 2013-10-10 US disclosed
US-20130267701-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME MIDCAP FINANCIAL TRUST 2013-10-10 US disclosed
US-20130203987-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
US-20130203987-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2013-08-08 US disclosed
EP-2598483-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME Rigel Pharmaceuticals, Inc. (US) 2013-06-05 EP disclosed
WO-2012016217-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 WO disclosed
US-20120028954-A1 Substituted Pyridine, Pyridazine, Pyrazine And Pyrimidine Compounds And Methods For Using The Same RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 US disclosed
WO-2012016217-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME RIGEL PHARMACEUTICALS, INC. (US) 2012-02-02 WO 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 (6 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-20120028954-A1 Substituted Pyridine, Pyridazine, Pyrazine And Pyrimidine Compounds And Methods For Using The Same AK2, PC, PRKAG2 PRKAA2 6/4885PRKAB2 5/4885PRKAG1 4/4885
US-20180057478-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 PRKAA2 7/4885PRKAB2 5/4885PRKAG1 1/4885
US-10941134-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 PRKAA2 7/4885PRKAB2 5/4885PRKAG1 1/4885
US-10377742-B2 AMPK-activating heterocyclic compounds and methods for using the same PRKAG1, PRKAG2, PRKAB1 PRKAA2 7/4885PRKAB2 5/4885PRKAG1 1/4885
US-20130203987-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 PRKAA2 7/4885PRKAB2 5/4885PRKAG1 1/4885
US-20130267701-A1 AMPK-ACTIVATING HETEROCYCLIC COMPOUNDS AND METHODS FOR USING THE SAME PRKAG1, PRKAG2, PRKAB1 PRKAA2 7/4885PRKAB2 5/4885PRKAG1 1/4885

“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.