SCHEMBL384642

SCHEMBL384642

Nc1cnc(NC2CCC(O)CC2)nc1NC1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK8 P45983 14/20 0.58
FLT3 P36888 4/20 0.58
TYRO3 Q06418 4/20 0.58
MERTK Q12866 4/20 0.58
GAS6 Q14393 4/20 0.58
AXL P30530 2/20 0.58
MAPK9 P45984 9/20 0.54
ULK1 O75385 1/20 0.49
MAPK10 P53779 2/20 0.47
GSK3B P49841 2/20 0.46
MAP2K7 O14733 1/20 0.46
IKBKB O14920 1/20 0.46
MAPK13 O15264 1/20 0.46
CDK2 P24941 1/20 0.46
MAP2K4 P45985 1/20 0.46
MAPKAPK2 P49137 1/20 0.46
MAP2K6 P52564 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK14 Q16539 1/20 0.46
GSK3A P49840 1/20 0.46

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
SCHEMBL384641 1.00 MAPK8 (0.58) MAPK8FLT3TYRO3MERTKGAS6
SCHEMBL14671136 0.94 MAPK8 (0.68) MAPK8FLT3TYRO3MERTKGAS6
SCHEMBL14671138 0.85 MAPK8 (0.50) MAPK8FLT3TYRO3MERTKGAS6
SCHEMBL6892088 0.84 MAPK8 (0.48) MAPK8FLT3TYRO3MERTKGAS6
SCHEMBL14658180 0.81 MAPK8 (0.84) MAPK8MAPK9
SCHEMBL14658179 0.81 MAPK8 (0.84) MAPK8MAPK9
SCHEMBL14656999 0.81 MAPK8 (0.84) MAPK8MAPK9
SCHEMBL14657000 0.81 MAPK8 (0.84) MAPK8MAPK9
SCHEMBL17088459 0.81 MAPK8 (0.84) MAPK8MAPK9
SCHEMBL17088487 0.81 MAPK8 (0.66) MAPK8FLT3TYRO3MERTKGAS6

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 21 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-7759342-B2 Methods of treatment and prevention using haloaryl substituted aminopurines SIGNAL PHARMACEUTICALS, LLC (US) 2010-07-20 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

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 MAPK8 15/4885FLT3 3360/4885TYRO3 2156/4885
US-20090275564-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 MAPK8 26/4885FLT3 3380/4885TYRO3 2181/4885
US-20140206697-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 MAPK8 26/4885FLT3 3380/4885TYRO3 2181/4885
US-20130225564-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 MAPK8 26/4885FLT3 3380/4885TYRO3 2181/4885
US-20080021048-A1 Methods of treatment and prevention using haloaryl substituted aminopurines TPMT, MGMT, SMAD3 MAPK8 11/4885FLT3 3656/4885TYRO3 1909/4885
US-20160039822-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 MAPK8 26/4885FLT3 3380/4885TYRO3 2181/4885
US-20090312320-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HALOARYL SUBSTITUTED AMINOPURINES OR COMPOSITIONS THEREOF TPMT, MGMT, SMAD3 MAPK8 24/4885FLT3 3362/4885TYRO3 1946/4885
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith TPMT, MGMT, HPRT1 MAPK8 26/4885FLT3 3380/4885TYRO3 2181/4885

“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.