SCHEMBL16689853

SCHEMBL16689853

Cc1ccc(Oc2nc3cc(-c4ccc(-c5ccccc5O)cc4)c(Cl)cc3[nH]2)cc1C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ PRKAG1 P54619 19/20 1.00
▸ PRKAB1 Q9Y478 19/20 1.00
▸ PRKAA2 P54646 15/20 1.00
▸ PRKAA1 Q13131 9/20 1.00
▸ PRKAB2 O43741 3/20 0.86
▸ PRKAG3 Q9UGI9 3/20 0.86
▸ PRKAG2 Q9UGJ0 3/20 0.86
▸ TFDP2 Q14188 1/20 0.86
▸ DHODH Q02127 1/20 0.45

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
SCHEMBL29659632 1.00 PRKAG1 (1.00) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL25735806 0.93 PRKAG1 (0.86) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481025 0.93 PRKAG1 (0.89) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3481331 0.93 PRKAG1 (0.89) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL30788331 0.93 PRKAG1 (1.00) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL29376061 0.93 PRKAG1 (1.00) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3036566 0.93 PRKAG1 (1.00) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437301 0.93 PRKAG1 (0.96) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL13437344 0.91 PRKAG1 (0.85) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL19876168 0.90 PRKAG1 (0.82) 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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11174246-B2 Direct AMPK activators RIGEL PHARMACEUTICALS, INC. (US) 2021-11-16 — — US claimed
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
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 — — US disclosed
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 — — US disclosed
US-20230117831-A1 MULTI-FUNCTIONAL CHIMERIC MOLECULES THE BROAD INSTITUTE, INC. 2023-04-20 — — US disclosed
EP-3500558-B1 BENZIMIDAZOLE DIRECT AMPK ACTIVATORS RIGEL PHARMACEUTICALS INC (US) 2022-11-02 — — EP disclosed
US-11174246-B2 Direct AMPK activators RIGEL PHARMACEUTICALS, INC. (US) 2021-11-16 — — US disclosed
US-11174246-B2 Direct AMPK activators RIGEL PHARMACEUTICALS, INC. (US) 2021-11-16 — — US 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
US-20180051006-A1 DIRECT AMPK ACTIVATORS MIDCAP FINANCIAL TRUST 2018-02-22 — — US disclosed
US-20180051006-A1 DIRECT AMPK ACTIVATORS MIDCAP FINANCIAL TRUST 2018-02-22 — — US disclosed
US-9138426-B2 Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment of diabetes MERCK SHARP & DOHME CORP. (US) 2015-09-22 — — US disclosed
US-20150126443-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME LLC 2015-05-07 — — 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 (5 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-20150126443-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES DPP4, DPP3, DPP7 PRKAG1 3878/4885PRKAB1 3991/4885PRKAA2 3496/4885
US-20230117831-A1 MULTI-FUNCTIONAL CHIMERIC MOLECULES PHAX, PAICS, SARS1 PRKAG1 1292/4885PRKAB1 2161/4885PRKAA2 445/4885
US-11174246-B2 Direct AMPK activators PRKAA1, PRKAG1, PRKAB1 PRKAG1 2/4885PRKAB1 3/4885PRKAA2 5/4885
US-20180051006-A1 DIRECT AMPK ACTIVATORS PRKAA1, PRKAG1, PRKAB1 PRKAG1 2/4885PRKAB1 3/4885PRKAA2 5/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS PRKAG1 1921/4885PRKAB1 2744/4885PRKAA2 752/4885

“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.

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