SCHEMBL3036566

SCHEMBL3036566

Cc1ccc(Oc2nc3cc(-c4ccc(-c5ccccc5)cc4)c(Cl)cc3[nH]2)cc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 19/20 1.00
PRKAB1 Q9Y478 19/20 1.00
PRKAA2 P54646 16/20 1.00
PRKAA1 Q13131 9/20 1.00
PRKAB2 O43741 4/20 1.00
PRKAG3 Q9UGI9 4/20 1.00
PRKAG2 Q9UGJ0 4/20 1.00
TFDP2 Q14188 1/20 1.00

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
SCHEMBL29376061 1.00 PRKAG1 (1.00) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL30788331 1.00 PRKAG1 (1.00) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437301 0.98 PRKAG1 (0.96) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481470 0.94 PRKAG1 (0.89) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481025 0.94 PRKAG1 (0.89) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481698 0.94 PRKAG1 (0.89) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481331 0.94 PRKAG1 (0.89) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481329 0.94 PRKAG1 (0.88) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481232 0.93 PRKAG1 (0.87) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL29659650 0.93 PRKAG1 (0.87) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3500558-A1 BENZIMIDAZOLE DIRECT AMPK ACTIVATORS Rigel Pharmaceuticals, Inc. (US) 2019-06-26 EP claimed
US-20180051006-A1 DIRECT AMPK ACTIVATORS MIDCAP FINANCIAL TRUST 2018-02-22 US claimed
WO-2018035128-A1 BENZIMIDAZOLE DIRECT AMPK ACTIVATORS RIGEL PHARMACEUTICALS, INC. (US) 2018-02-22 WO claimed
CN-117243950-A Application of MK-3903 in preparation of medicines for preventing and/or treating ischemic heart disease 首都医科大学附属北京朝阳医院 2023-12-19 CN disclosed
US-20220098175-A1 DIRECT AMPK ACTIVATORS RIGEL PHARMACEUTICALS, INC. (US) 2022-03-31 US disclosed
EP-3924343-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS Merck Sharp & Dohme Corp. (US) 2021-12-22 EP disclosed
US-11174246-B2 Direct AMPK activators RIGEL PHARMACEUTICALS, INC. (US) 2021-11-16 US disclosed
EP-3500558-A1 BENZIMIDAZOLE DIRECT AMPK ACTIVATORS Rigel Pharmaceuticals, Inc. (US) 2019-06-26 EP disclosed
WO-2018035128-A1 BENZIMIDAZOLE DIRECT AMPK ACTIVATORS RIGEL PHARMACEUTICALS, INC. (US) 2018-02-22 WO disclosed
US-20180051006-A1 DIRECT AMPK ACTIVATORS MIDCAP FINANCIAL TRUST 2018-02-22 US disclosed
EP-2464228-B1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME (US) 2017-12-06 EP disclosed
WO-2010094126-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-08-26 WO disclosed
WO-2010043052-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-04-22 WO disclosed
WO-2010037225-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-04-08 WO disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 US disclosed
WO-2010036613-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-04-01 WO disclosed
WO-2010036613-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. (US) 2010-04-01 WO disclosed
WO-2010025553-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2010-03-11 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 (4 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-11174246-B2 Direct AMPK activators PRKAA1, PRKAG1, PRKAB1 PRKAG1 2/4885PRKAB1 3/4885PRKAA2 5/4885
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 PRKAG1 2/4885PRKAB1 5/4885PRKAA2 12/4885
US-20180051006-A1 DIRECT AMPK ACTIVATORS PRKAA1, PRKAG1, PRKAB1 PRKAG1 2/4885PRKAB1 3/4885PRKAA2 5/4885
US-20220098175-A1 DIRECT AMPK ACTIVATORS PRKAA1, PRKAG1, PRKAB1 PRKAG1 2/4885PRKAB1 3/4885PRKAA2 5/4885

“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.