SCHEMBL384627

SCHEMBL384627

O=[N+]([O-])c1cnc(NC2CCSCC2)nc1NC1CCOCC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 3/20 0.50
GSK3A P49840 2/20 0.50
MAPK1 P28482 11/20 0.44
PRKCQ Q04759 1/20 0.43
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
CDK2 P24941 1/20 0.41
MAPK8 P45983 1/20 0.39
MAPK9 P45984 1/20 0.39
MAPK10 P53779 1/20 0.39
MAPK3 P27361 5/20 0.39
AXL P30530 1/20 0.38
TYRO3 Q06418 1/20 0.38
MERTK Q12866 1/20 0.38
ULK1 O75385 1/20 0.37

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
SCHEMBL17544767 0.85 GSK3B (0.64) GSK3BGSK3APRKCQCDK2MAPK8
SCHEMBL14423666 0.84 GSK3B (0.53) GSK3BGSK3AMAPK1PRKCQHDAC3
SCHEMBL17649879 0.83 GSK3B (0.55) GSK3BGSK3AMAPK1PRKCQHDAC3
SCHEMBL17649882 0.83 GSK3B (0.55) GSK3BGSK3AMAPK1PRKCQHDAC3
SCHEMBL20837953 0.83 GSK3B (0.55) GSK3BGSK3AMAPK1PRKCQHDAC3
SCHEMBL17650134 0.82 GSK3A (0.52) GSK3BGSK3AMAPK1PRKCQHDAC3
SCHEMBL20837950 0.82 GSK3A (0.52) GSK3BGSK3AMAPK1PRKCQHDAC3
SCHEMBL17650131 0.82 GSK3A (0.52) GSK3BGSK3AMAPK1PRKCQHDAC3
SCHEMBL29717608 0.82 GSK3A (0.52) GSK3BGSK3AMAPK1PRKCQHDAC3
SCHEMBL19665685 0.81 GSK3A (0.51) GSK3BGSK3AMAPK1PRKCQHDAC3

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 26 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
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
EP-2010186-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals LLC (US) 2009-01-07 EP disclosed
US-20080021048-A1 Methods of treatment and prevention using haloaryl substituted aminopurines SIGNAL PHARMACEUTICALS, LLC 2008-01-24 US disclosed
WO-2007127382-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2007-11-08 WO disclosed
EP-1838710-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH Signal Pharmaceuticals, Inc. (US) 2007-10-03 EP 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-2006076595-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH SIGNAL PHARMACEUTICALS, LLC (US) 2006-07-20 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 (6 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 GSK3B 41/4885GSK3A 104/4885MAPK1 16/4885
US-20140206697-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 GSK3B 68/4885GSK3A 140/4885MAPK1 18/4885
US-20130225564-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 GSK3B 68/4885GSK3A 140/4885MAPK1 18/4885
US-20080021048-A1 Methods of treatment and prevention using haloaryl substituted aminopurines TPMT, MGMT, SMAD3 GSK3B 94/4885GSK3A 188/4885MAPK1 4/4885
US-20160039822-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 GSK3B 68/4885GSK3A 140/4885MAPK1 18/4885
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith TPMT, MGMT, HPRT1 GSK3B 68/4885GSK3A 140/4885MAPK1 18/4885

“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.