SCHEMBL1573096

SCHEMBL1573096

O=C(O)c1n[nH]c2ccc(OC(F)(F)F)cc12

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ PRKAG1 P54619 7/20 0.58
▸ PRKAA1 Q13131 7/20 0.58
▸ PRKAB1 Q9Y478 7/20 0.58
▸ PRKAB2 O43741 6/20 0.47
▸ PRKAA2 P54646 6/20 0.47
▸ PRKAG3 Q9UGI9 6/20 0.47
▸ PRKAG2 Q9UGJ0 6/20 0.47
▸ HAO1 Q9UJM8 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.45
▸ CRHBP P24387 1/20 0.45
▸ CRHR2 Q13324 1/20 0.45
▸ CFTR P13569 1/20 0.43
▸ TRPA1 O75762 3/20 0.42
▸ SCN5A Q14524 1/20 0.42
▸ SCN9A Q15858 1/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ GSK3B P49841 1/20 0.41

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
SCHEMBL2856373 0.89 TRPA1 (0.51) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL27837474 0.87 NTRK1 (0.44) PRKAG1PRKAA1PRKAB1KDM4ECRHBP
SCHEMBL30648568 0.86 KDM4E (0.57) PRKAG1PRKAA1PRKAB1KDM4ECRHBP
SCHEMBL4791019 0.86 KDM4E (0.57) PRKAG1PRKAA1PRKAB1KDM4ECRHBP
SCHEMBL492289 0.84 PRKAG1 (0.59) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL12583332 0.81 GSK3B (0.49) KDM4EGSK3B
SCHEMBL929332 0.81 PRKAG1 (0.79) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL27942416 0.80 PTGS2 (0.47) KDM4ECRHBPCRHR2CFTRTRPA1
SCHEMBL28206086 0.78 MAP2K4 (0.64) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL12583094 0.77 GSK3B (0.64) GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304113-A Synthesis method of 5- (trifluoromethoxy) -1H-indazole-3-carboxylic acid methyl ester 南通大学 2023-12-29 — — CN claimed
EP-1828179-B1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AGAINST CNS-RELATED DISEASES MEMORY PHARM CORP (US) 2010-01-20 — — EP claimed
CN-117304113-A Synthesis method of 5- (trifluoromethoxy) -1H-indazole-3-carboxylic acid methyl ester 南通大学 2023-12-29 — — CN disclosed
CN-117304113-A Synthesis method of 5- (trifluoromethoxy) -1H-indazole-3-carboxylic acid methyl ester 南通大学 2023-12-29 — — CN disclosed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 — — EP disclosed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 — — EP disclosed
CN-104024258-B Pyrrolopyrazine kinase inhibitors 霍夫曼-拉罗奇有限公司 2017-02-15 — — CN disclosed
CN-102186826-B Diazonium-free method to make an indazole intermediate in the synthesis of bicyclic 5-(trifluormethoxy)-1h-3-indazolecarboxylic acid amides HOFFMANN LA ROCHE 2015-06-17 — — CN disclosed
CN-102186826-B Diazonium-free method to make an indazole intermediate in the synthesis of bicyclic 5-(trifluormethoxy)-1h-3-indazolecarboxylic acid amides HOFFMANN LA ROCHE 2015-06-17 — — CN disclosed
CN-104024258-A Pyrrolopyrazine kinase inhibitors HOFFMANN LA ROCHE 2014-09-03 — — CN disclosed
EP-2763990-A1 PYRROLOPYRAZINE KINASE INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-08-13 — — EP disclosed
US-7625924-B2 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2009-12-01 — — US disclosed
CN-101124224-A Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARM CORP (US) 2008-02-13 — — CN disclosed
CN-101124226-A 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof MEMORY PHARM CORP (US) 2008-02-13 — — CN disclosed
EP-1828179-A2 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF Memory Pharmaceutical Corporation (US) 2007-09-05 — — EP disclosed
EP-1745046-A2 1 H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZIOSOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2007-01-24 — — EP disclosed
US-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2006-07-27 — — US disclosed
WO-2006069097-A2 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2006-06-29 — — WO disclosed
US-20050272735-A1 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-12-08 — — US disclosed
WO-2005111038-A2 1H-INDAZOLES, BENZOTHIAZOLES, 1,2-BENZOISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND CHROMONES AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-11-24 — — 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 (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-20050272735-A1 1H-indazoles, benzothiazoles, 1,2-benzoisoxazoles, 1,2-benzoisothiazoles, and chromones and preparation and uses thereof CHRNA7, CHRNA1, CHRNA5 PRKAG1 1659/4885PRKAA1 2041/4885PRKAB1 1796/4885
US-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof CHRNA7, CHRNA5, CHRNA6 PRKAG1 1017/4885PRKAA1 2057/4885PRKAB1 1073/4885

“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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