SCHEMBL823781

SCHEMBL823781

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

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 18/20 0.78
PRKAB1 Q9Y478 18/20 0.78
PRKAA2 P54646 16/20 0.78
PRKAA1 Q13131 5/20 0.78
PRKAB2 O43741 1/20 0.78
TFDP2 Q14188 1/20 0.78
PRKAG3 Q9UGI9 1/20 0.78
PRKAG2 Q9UGJ0 1/20 0.78

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
SCHEMBL12266853 0.90 PRKAG1 (0.74) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL12563335 0.89 PRKAG1 (0.79) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL3036566 0.88 PRKAG1 (1.00) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL29376061 0.88 PRKAG1 (1.00) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL14823321 0.88 PRKAG1 (0.73) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL30788331 0.88 PRKAG1 (1.00) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL9909905 0.87 PRKAG1 (0.60) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL12241833 0.87 PRKAG1 (0.72) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL12266546 0.86 PRKAG1 (0.70) PRKAG1PRKAB1PRKAA2PRKAA1PRKAB2
SCHEMBL12241664 0.86 PRKAG1 (0.73) 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 46 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9422266-B2 Substituted cyclopropyl compounds, compositions containing such compounds and methods of treatment MERCK SHARP & DOHME CORP. (US) 2016-08-23 US disclosed
US-9403790-B2 Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2016-08-02 US disclosed
US-9278976-B2 Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment of diabetes MERCK SHARP & DOHME CORP. (US) 2016-03-08 US disclosed
US-20150344487-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES MERCK SHARP & DOHME LLC 2015-12-03 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-9073930-B2 Dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME (US) 2015-07-07 US disclosed
US-9051329-B2 Tricyclic heterocycles useful as dipeptidyl peptidase-IV inhibitors MERCK SHARP & DOHME CORP. (US) 2015-06-09 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
US-8980929-B2 Substituted seven-membered heterocyclic compounds as dipeptidyl peptidase-iv inhibitors for the treatment of diabetes MERCK SHARP & DOHME CORP. (US) 2015-03-17 US disclosed
US-20150057220-A1 FUSED AROMATIC PHOSPHONATE DERIVATIVES AS PRECURSORS TO PTP-1B INHIBITORS MERCK CANADA INC. (CA) 2015-02-26 US disclosed
US-20120149734-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES MERCK SHARP & DOHME LLC 2012-06-14 US disclosed
US-20120142706-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT MERCK SHARP & DOHME LLC 2012-06-07 US disclosed
US-8143289-B2 Aminotetrahydropyrans as dipeptidyl peptidase-IV inhibitors for the treatment or prevention of diabetes MERCK SHARP & DOHME CORP. (US) 2012-03-27 US disclosed
US-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2012-01-12 US disclosed
US-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK CANADA INC. (CA) 2011-12-08 US disclosed
US-20110263533-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME CORP. 2011-10-27 US disclosed
US-20110183958-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. 2011-07-28 US disclosed
US-20110166152-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2011-07-07 US disclosed
US-20110152295-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE MERCK FROSST CANADA LTD. (CA) 2011-06-23 US disclosed
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS MERCK SHARP & DOHME LLC 2010-04-01 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 (12 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-20120149734-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OR PREVENTION OF DIABETES DPP4, DPP3, DPP7 PRKAG1 3757/4885PRKAB1 3898/4885PRKAA2 3288/4885
US-20110166152-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, CPT1A PRKAG1 1373/4885PRKAB1 1925/4885PRKAA2 422/4885
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-20110263533-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 PRKAG1 2/4885PRKAB1 5/4885PRKAA2 12/4885
US-20150344487-A1 AMINOTETRAHYDROPYRANS AS DIPEPTIDYL PEPTIDASE-IV INHIBITORS FOR THE TREATMENT OF DIABETES DPP4, DPP3, DPP7 PRKAG1 3878/4885PRKAB1 3991/4885PRKAA2 3496/4885
US-20100081643-A1 NOVEL CYCLIC BENZIMIDAZOLE DERIVATIVES USEFUL AS ANTI-DIABETIC AGENTS PRKAG2, PRKAG1, PRKAB2 PRKAG1 2/4885PRKAB1 5/4885PRKAA2 12/4885
US-20150057220-A1 FUSED AROMATIC PHOSPHONATE DERIVATIVES AS PRECURSORS TO PTP-1B INHIBITORS PTPRS, PPM1B, PTPRF PRKAG1 1290/4885PRKAB1 1193/4885PRKAA2 1556/4885
US-20110183958-A1 AZETIDINE DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FADS2 PRKAG1 1099/4885PRKAB1 1508/4885PRKAA2 1414/4885
US-20120010186-A1 HETEROCYCLIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, FASN PRKAG1 844/4885PRKAB1 1326/4885PRKAA2 715/4885
US-20110301143-A1 HETEROCYCLIC DERIVATIVES AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, COASY PRKAG1 2995/4885PRKAB1 3160/4885PRKAA2 1873/4885
US-20120142706-A1 SUBSTITUTED CYCLOPROPYL COMPOUNDS, COMPOSITIONS CONTAINING SUCH COMPOUNDS AND METHODS OF TREATMENT GPR119, GPR27, GCGR PRKAG1 895/4885PRKAB1 1210/4885PRKAA2 1774/4885
US-20110152295-A1 HETEROAROMATIC COMPOUNDS AS INHIBITORS OF STEAROYL-COENZYME A DELTA-9 DESATURASE SCD, SCD5, SREBF1 PRKAG1 1265/4885PRKAB1 1676/4885PRKAA2 730/4885

“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.