SCHEMBL1963276

SCHEMBL1963276

O=Cc1ccc2[nH]nc(C(=O)O)c2c1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PRKAG1 P54619 15/20 0.52
PRKAA1 Q13131 15/20 0.52
PRKAB1 Q9Y478 15/20 0.52
HAO1 Q9UJM8 2/20 0.51
PRKAB2 O43741 14/20 0.43
PRKAA2 P54646 14/20 0.43
PRKAG3 Q9UGI9 14/20 0.43
PRKAG2 Q9UGJ0 14/20 0.43
KIF11 P52732 1/20 0.42
TTK P33981 1/20 0.40

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
SCHEMBL492005 0.87 TTK (0.49) PRKAG1PRKAA1PRKAB1HAO1PRKAB2
SCHEMBL4436081 0.82 KDM4E (0.60) PRKAG1PRKAA1PRKAB1KIF11
SCHEMBL9909089 0.81 PRKAG1 (0.39) PRKAG1PRKAA1PRKAB1HAO1KIF11
SCHEMBL6526757 0.80 JAK2 (0.55) KIF11TTK
SCHEMBL1963000 0.79 KDM4E (0.43) PRKAG1PRKAA1PRKAB1KIF11
SCHEMBL14792020 0.78 PRKAG1 (0.56) PRKAG1PRKAA1PRKAB1HAO1PRKAB2
SCHEMBL1963463 0.78 PRKAG1 (0.56) PRKAG1PRKAA1PRKAB1HAO1PRKAB2
SCHEMBL4008217 0.78 PRKAG1 (0.56) PRKAG1PRKAA1PRKAB1HAO1PRKAB2
SCHEMBL4429972 0.78 PRKAA1 (0.41) PRKAG1PRKAA1PRKAB1KIF11TTK
SCHEMBL260615 0.77 PDPK1 (0.61) PRKAG1PRKAA1PRKAB1HAO1PRKAB2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF XIE WENGE (US) 2011-12-29 US disclosed
EP-2336128-A1 Benzoisothiazoles and preparation and uses thereof Memory Pharmaceuticals Corporation (US) 2011-06-22 EP disclosed
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF XIE WENGE 2010-04-29 US disclosed
EP-1735306-A2 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF Memory Pharmaceuticals Corporation (US) 2006-12-27 EP 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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-20110319407-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 PRKAG1 1882/4885PRKAA1 1894/4885PRKAB1 2165/4885
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 PRKAG1 1796/4885PRKAA1 1849/4885PRKAB1 2098/4885
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 PRKAG1 1882/4885PRKAA1 1894/4885PRKAB1 2165/4885
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.