SCHEMBL1964284

SCHEMBL1964284

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

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HAO1 Q9UJM8 8/20 0.53
PRKAG1 P54619 4/20 0.51
PRKAA1 Q13131 4/20 0.51
PRKAB1 Q9Y478 4/20 0.51
DYRK1A Q13627 5/20 0.49
WNT1 P04628 2/20 0.49
PRKAB2 O43741 3/20 0.48
PRKAA2 P54646 3/20 0.48
PRKAG3 Q9UGI9 3/20 0.48
PRKAG2 Q9UGJ0 3/20 0.48
ITK Q08881 1/20 0.43
LRRK2 Q5S007 1/20 0.43
GSK3B P49841 1/20 0.42
KCNH2 Q12809 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
SCHEMBL1965993 0.86 HAO1 (0.51) HAO1PRKAG1PRKAA1PRKAB1DYRK1A
SCHEMBL2056320 0.84 HAO1 (0.57) HAO1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL27694399 0.82 DYRK1A (0.49) PRKAG1PRKAA1PRKAB1DYRK1AWNT1
SCHEMBL28253036 0.79 HAO1 (0.52) HAO1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL27955206 0.77 HAO1 (0.53) HAO1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL28763159 0.76 HAO1 (0.49) HAO1PRKAG1PRKAA1PRKAB1DYRK1A
SCHEMBL1406065 0.75 MAP2K4 (0.61) HAO1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL1966636 0.74 DYRK1A (0.55) HAO1DYRK1AWNT1GSK3B
SCHEMBL1963463 0.73 PRKAG1 (0.56) HAO1PRKAG1PRKAA1PRKAB1PRKAB2
SCHEMBL4008217 0.73 PRKAG1 (0.56) HAO1PRKAG1PRKAA1PRKAB1PRKAB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103724343-A Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof MEMORY PHARM CORP 2014-04-16 CN disclosed
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
CN-101001856-A Indazoles, benzothiazoles, benzisothiazoles, benzisoxazoles, and preparation and use thereof MEMORY PHARM CORP (US) 2007-07-18 CN 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 HAO1 1333/4885PRKAG1 1882/4885PRKAA1 1894/4885
US-20100105677-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USES THEREOF CHRNA7, CHRNA5, CHRNA3 HAO1 1324/4885PRKAG1 1796/4885PRKAA1 1849/4885
US-20130217683-A1 INDAZOLES, BENZOTHIAZOLES, BENZOISOTHIAZOLES, BENZISOXAZOLES, AND PREPARATION AND USE THEREOF CHRNA7, CHRNA5, CHRNA3 HAO1 1333/4885PRKAG1 1882/4885PRKAA1 1894/4885
US-20050234095-A1 Indazoles, benzothiazoles, benzoisothiazoles, benzisoxazoles, and preparation and uses thereof CHRNA7, CHRNA5, CHRNA3 HAO1 1324/4885PRKAG1 1796/4885PRKAA1 1849/4885

“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.