SCHEMBL385068

SCHEMBL385068

C[C@@H](CC(N)=O)Nc1nc(Cl)ncc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIN1 Q13526 12/20 0.47
MAPT P10636 4/20 0.41
HTT P42858 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
GLP1R P43220 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36
MCL1 Q07820 1/20 0.36
PTK2B Q14289 1/20 0.36

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
SCHEMBL382757 1.00 PIN1 (0.47) PIN1MAPTHTTL3MBTL1GLP1R
SCHEMBL382758 1.00 PIN1 (0.47) PIN1MAPTHTTL3MBTL1GLP1R
SCHEMBL4580251 0.85 PIN1 (0.51) PIN1MAPTHTTL3MBTL1GLP1R
SCHEMBL4580244 0.85 PIN1 (0.51) PIN1MAPTHTTL3MBTL1GLP1R
SCHEMBL27784470 0.82 PIN1 (0.42) PIN1MAPTHTTL3MBTL1MEN1
SCHEMBL1496408 0.80 PIN1 (0.57) PIN1MAPTHTTL3MBTL1GLP1R
SCHEMBL14952336 0.80 PIN1 (0.49) PIN1MAPTHTTALDH1A1
SCHEMBL14941852 0.80 PIN1 (0.49) PIN1MAPTHTTALDH1A1
SCHEMBL15740451 0.78 MAPT (0.40) MAPTHTTALDH1A1MEN1KMT2A
SCHEMBL4191609 0.77 PIN1 (0.53) PIN1MAPTHTTL3MBTL1GLP1R

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 22 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 PIN1 749/4885MAPT 754/4885HTT 1794/4885
US-20090275564-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF, AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 PIN1 1056/4885MAPT 901/4885HTT 1784/4885
US-20140206697-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 PIN1 1056/4885MAPT 901/4885HTT 1784/4885
US-20130225564-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 PIN1 1056/4885MAPT 901/4885HTT 1784/4885
US-20080021048-A1 Methods of treatment and prevention using haloaryl substituted aminopurines TPMT, MGMT, SMAD3 PIN1 1087/4885MAPT 1071/4885HTT 2229/4885
US-20160039822-A1 HALOARYL SUBSTITUTED AMINOPURINES, COMPOSITIONS THEREOF,AND METHODS OF TREATMENT THEREWITH TPMT, MGMT, HPRT1 PIN1 1056/4885MAPT 901/4885HTT 1784/4885
US-20090312320-A1 METHODS OF TREATMENT COMPRISING THE ADMINISTRATION OF HALOARYL SUBSTITUTED AMINOPURINES OR COMPOSITIONS THEREOF TPMT, MGMT, SMAD3 PIN1 843/4885MAPT 930/4885HTT 2051/4885
US-20070060598-A1 Haloaryl substituted aminopurines, compositions thereof, and methods of treatment therewith TPMT, MGMT, HPRT1 PIN1 1056/4885MAPT 901/4885HTT 1784/4885

“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.