SCHEMBL492289

SCHEMBL492289

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

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 10/20 0.59
PRKAA1 Q13131 10/20 0.59
PRKAB1 Q9Y478 10/20 0.59
PRKAB2 O43741 9/20 0.50
PRKAA2 P54646 9/20 0.50
PRKAG3 Q9UGI9 9/20 0.50
PRKAG2 Q9UGJ0 9/20 0.50
HAO1 Q9UJM8 2/20 0.48
DYRK1A Q13627 6/20 0.44
GSK3B P49841 5/20 0.44
CLK2 P49760 1/20 0.43
CLK3 P49761 1/20 0.43
NTRK1 P04629 1/20 0.42
SYK P43405 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
SCHEMBL492130 0.88 PRKAG1 (0.50) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL1573096 0.84 PRKAG1 (0.58) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL929332 0.82 PRKAG1 (0.79) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL14738490 0.77 GRM4 (0.40) PRKAG1PRKAA1PRKAB1DYRK1AGSK3B
SCHEMBL956608 0.76 PRKAG1 (0.55) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL492695 0.75 HAO1 (0.60) PRKAG1PRKAA1PRKAB1HAO1GSK3B
SCHEMBL4008217 0.74 PRKAG1 (0.56) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL14792020 0.74 PRKAG1 (0.56) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL1963463 0.74 PRKAG1 (0.56) PRKAG1PRKAA1PRKAB1PRKAB2PRKAA2
SCHEMBL1572934 0.74 DYRK1A (0.47) DYRK1AGSK3BCLK2CLK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828179-B1 NICOTINIC ALPHA-7 RECEPTOR LIGANDS AGAINST CNS-RELATED DISEASES MEMORY PHARM CORP (US) 2010-01-20 EP claimed
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-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
CN-103724343-A Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARM CORP 2014-04-16 CN disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
US-8658646-B2 Pyrrolopyrazine kinase inhibitors HOFFMANN-LAROCHE INC. (US) 2014-02-25 US disclosed
EP-1697378-A2 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2006-09-06 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
US-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICAL CORPORATION 2005-11-10 US disclosed
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-10-20 US disclosed
WO-2005092890-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-10-06 WO disclosed
US-20050176754-A1 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION 2005-08-11 US disclosed
WO-2005063767-A2 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2005-07-14 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 (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-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-20050250808-A1 Indoles, 1h-indazoles, 1,2-benzisoxazoles, 1,2-benzoisothiazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA2 PRKAG1 1716/4885PRKAA1 1573/4885PRKAB1 1912/4885
US-20060167039-A1 Nicotinic alpha-7 receptor ligands and preparation and uses thereof CHRNA7, CHRNA5, CHRNA6 PRKAG1 1017/4885PRKAA1 2057/4885PRKAB1 1073/4885
US-20050176754-A1 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA1 PRKAG1 1497/4885PRKAA1 2096/4885PRKAB1 1723/4885
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA3 PRKAG1 1796/4885PRKAA1 1849/4885PRKAB1 2098/4885

“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.