SCHEMBL385263

SCHEMBL385263

O=[N+]([O-])c1cnc(N[C@H]2CC[C@H](O)CC2)nc1NC1CCCC1

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.70
GSK3B P49841 2/20 0.70
MAPK8 P45983 9/20 0.53
TYRO3 Q06418 6/20 0.53
MERTK Q12866 6/20 0.53
FLT3 P36888 5/20 0.53
GAS6 Q14393 5/20 0.53
AXL P30530 3/20 0.53
CDK2 P24941 1/20 0.51
MAPK9 P45984 6/20 0.49
PRKCQ Q04759 1/20 0.44
ULK1 O75385 1/20 0.44

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
SCHEMBL385264 1.00 GSK3A (0.70) GSK3AGSK3BMAPK8TYRO3MERTK
SCHEMBL5806595 0.96 GSK3B (0.74) GSK3AGSK3BMAPK8TYRO3MERTK
SCHEMBL17544767 0.89 GSK3B (0.64) GSK3AGSK3BMAPK8CDK2PRKCQ
SCHEMBL1961567 0.87 GSK3A (0.64) GSK3AGSK3BMAPK8TYRO3MERTK
SCHEMBL6890352 0.87 GSK3A (0.64) GSK3AGSK3BMAPK8TYRO3MERTK
SCHEMBL14685715 0.87 GSK3A (0.64) GSK3AGSK3BMAPK8TYRO3MERTK
SCHEMBL14589028 0.82 GSK3A (0.57) GSK3AGSK3BMAPK8AXLCDK2
SCHEMBL1265079 0.82 GSK3A (0.57) GSK3AGSK3BMAPK8AXLCDK2
SCHEMBL1265078 0.82 GSK3A (0.57) GSK3AGSK3BMAPK8AXLCDK2
SCHEMBL28657769 0.81 GSK3A (0.53) GSK3AGSK3BCDK2PRKCQ

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9725450-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2017-08-08 US disclosed
US-20160039822-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2016-02-11 US disclosed
US-9187479-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2015-11-17 US disclosed
US-20140206697-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2014-07-24 US disclosed
EP-2289893-B1 Haloaryl substituted aminopurines for use in treatment SIGNAL PHARM LLC (US) 2014-06-25 EP disclosed
EP-2112151-B1 Haloaryl substituted aminopurines for use in treatment SIGNAL PHARM LLC (US) 2013-11-20 EP disclosed
US-20130225564-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2013-08-29 US disclosed
US-8440661-B2 Methods of modulating inflammatory cell recruitment and gene expression using haloaryl substituted aminopurines SIGNAL PHARMACEUTICALS, LLC (US) 2013-05-14 US disclosed
EP-2010186-B1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2012-12-26 EP disclosed
US-8101588-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2012-01-24 US disclosed
US-7723340-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2010-05-25 US disclosed
US-20090312320-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HALOARYL SUBSTITUTED AMINOPURINES OR COMPOSITIONS THEREOF SIGNAL PHARMACEUTICALS, LLC 2009-12-17 US disclosed
US-20090275564-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH ALBERS RONALD J 2009-11-05 US disclosed
EP-2112151-A2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith Signal Pharmaceuticals LLC (US) 2009-10-28 EP disclosed
EP-1838710-B1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARM LLC (US) 2009-07-01 EP disclosed
US-7521446-B2 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC (US) 2009-04-21 US disclosed
US-20080021048-A1 Methods of treatment and prevention using haloaryl substituted aminopurines SIGNAL PHARMACEUTICALS, LLC 2008-01-24 US disclosed
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith SIGNAL PHARMACEUTICALS, LLC 2007-03-15 US disclosed
US-20060287344-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith PHARMACOPEIA, LLC 2006-12-21 US disclosed
WO-2006091737-A1 MODULATORS OF GSK-3 ACTIVITY KEMIA, INC. (US) 2006-08-31 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 (8 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-20060287344-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith TPMT, MGMT, HPRT1 GSK3A 104/4885GSK3B 41/4885MAPK8 15/4885
US-20090275564-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 GSK3A 140/4885GSK3B 68/4885MAPK8 26/4885
US-20140206697-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 GSK3A 140/4885GSK3B 68/4885MAPK8 26/4885
US-20130225564-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 GSK3A 140/4885GSK3B 68/4885MAPK8 26/4885
US-20080021048-A1 Methods of treatment and prevention using haloaryl substituted aminopurines TPMT, MGMT, SMAD3 GSK3A 188/4885GSK3B 94/4885MAPK8 11/4885
US-20160039822-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 GSK3A 140/4885GSK3B 68/4885MAPK8 26/4885
US-20090312320-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HALOARYL SUBSTITUTED AMINOPURINES OR COMPOSITIONS THEREOF TPMT, MGMT, SMAD3 GSK3A 102/4885GSK3B 53/4885MAPK8 24/4885
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith TPMT, MGMT, HPRT1 GSK3A 140/4885GSK3B 68/4885MAPK8 26/4885

“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.