SCHEMBL1176377

SCHEMBL1176377

Cc1cnc(-c2ccc3[nH]nc(C(=O)O)c3c2)s1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRKAG1 P54619 8/20 0.55
▸ PRKAA1 Q13131 8/20 0.55
▸ PRKAB1 Q9Y478 8/20 0.55
▸ DYRK1A Q13627 5/20 0.51
▸ GSK3B P49841 2/20 0.51
▸ HAO1 Q9UJM8 5/20 0.46
▸ CLK2 P49760 1/20 0.44
▸ CLK3 P49761 1/20 0.44
▸ PRKAB2 O43741 7/20 0.44
▸ PRKAA2 P54646 7/20 0.44
▸ PRKAG3 Q9UGI9 7/20 0.44
▸ PRKAG2 Q9UGJ0 7/20 0.44
▸ MAPK1 P28482 1/20 0.42
▸ MAP2K4 P45985 1/20 0.42
▸ MAPKAPK3 Q16644 1/20 0.42
▸ MAPK6 Q16659 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ WNT1 P04628 1/20 0.42

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
SCHEMBL1176331 0.90 GSK3B (0.44) PRKAG1PRKAA1PRKAB1DYRK1AGSK3B
SCHEMBL20488801 0.79 PRKAG1 (0.64) PRKAG1PRKAA1PRKAB1DYRK1AHAO1
SCHEMBL12582650 0.79 JAK1 (0.51) DYRK1AGSK3BCLK2CLK3MAPK1
SCHEMBL12515273 0.79 DYRK1A (0.40) DYRK1AGSK3BCLK2CLK3MAPK1
SCHEMBL1176676 0.78 HAO1 (0.66) PRKAG1PRKAA1PRKAB1DYRK1AHAO1
SCHEMBL1572715 0.78 DYRK1A (0.51) DYRK1AGSK3BCLK2CLK3
SCHEMBL1176223 0.77 PRKAG1 (0.54) PRKAG1PRKAA1PRKAB1HAO1PRKAB2
SCHEMBL1176398 0.77 DYRK1A (0.48) DYRK1AGSK3BCLK2CLK3WNT1
SCHEMBL5043123 0.77 DYRK1A (0.48) DYRK1AGSK3BCLK2CLK3WNT1
SCHEMBL1965401 0.75 CHRNA7 (0.61) DYRK1AGSK3BCLK2CLK3WNT1

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 42 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
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF MEMORY PHARMACEUTICALS CORPORATION (US) 2013-08-22 — — US disclosed
US-8486937-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and use thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2013-07-16 — — US disclosed
US-8263619-B2 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-09-11 — — US disclosed
US-8158629-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2012-04-17 — — US disclosed
US-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF XIE WENGE (US) 2011-12-29 — — US disclosed
US-20110312989-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, AND 1,2-BENZISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE (US) 2011-12-22 — — US disclosed
US-20110178075-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2011-07-21 — — US disclosed
EP-2336128-A1 Benzoisothiazoles and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-06-22 — — EP disclosed
US-7964600-B2 Indoles, 1H-indazoles, 1,2-benzisoxazoles, and 1,2-benzisothiazoles, and preparation and uses thereof MEMORY PHARMACEUTICALS CORPORATION (US) 2011-06-21 — — US 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
WO-2006001894-A1 INDOLES, 1H-INDAZOLES, 1,2-BENZISOXAZOLES, 1,2-BENZOISOTHIAZOLES, AND PREPARATION AND USES THEREOF MEMORY PHARMACEUTICAL CORPORATION (US) 2006-01-05 — — 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 (9 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-20110312989-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-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 PRKAG1 1882/4885PRKAA1 1894/4885PRKAB1 2165/4885
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-20110178075-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-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-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 PRKAG1 1882/4885PRKAA1 1894/4885PRKAB1 2165/4885
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.

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