SCHEMBL1010294

SCHEMBL1010294

CN(C)c1nc(Cc2ccc(NC(=O)c3ccc4ccccc4c3)cc2)ncc1CC(=O)O

nearest known ligand 0.59

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 2/20 0.59
PTGDR2 Q9Y5Y4 13/20 0.57
TBXA2R P21731 1/20 0.54
PTGDR Q13258 1/20 0.54
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
NPC1 O15118 1/20 0.45
CASP3 P42574 1/20 0.45
RAB9A P51151 1/20 0.45
SENP7 Q9BQF6 1/20 0.45
DEGS1 O15121 1/20 0.45
DGAT1 O75907 1/20 0.44
CYSLTR1 Q9Y271 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
SCHEMBL12568856 0.91 NR1H4 (0.49) NR1H4PTGDR2TBXA2RPTGDRMEN1
SCHEMBL1652448 0.87 KDM4E (0.57) PTGDR2TBXA2RPTGDR
SCHEMBL12952844 0.87 PTGDR2 (0.60) NR1H4PTGDR2TBXA2RPTGDRMEN1
SCHEMBL1650967 0.87 PTGDR2 (0.71) NR1H4PTGDR2TBXA2RPTGDRMEN1
SCHEMBL1654069 0.86 KMT2A (0.52) PTGDR2TBXA2RPTGDRMEN1KMT2A
SCHEMBL27634916 0.86 NR1H4 (0.46) NR1H4PTGDR2TBXA2RPTGDRMEN1
SCHEMBL1652098 0.86 PTGDR2 (0.54) NR1H4PTGDR2TBXA2RPTGDRMEN1
SCHEMBL1654146 0.86 PTGDR2 (0.57) PTGDR2TBXA2RPTGDRMEN1KMT2A
SCHEMBL1008774 0.86 PTGDR2 (0.59) NR1H4PTGDR2TBXA2RPTGDRMEN1
SCHEMBL1654021 0.86 PTGDR2 (0.59) NR1H4PTGDR2TBXA2RPTGDRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7960393-B2 Pyrimidine derivatives useful for the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2011-06-14 US claimed
JP-4671955-B2 2011-04-20 JP claimed
US-20100322980-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 GB005, INC. 2010-12-23 US claimed
US-7812160-B2 Pyrimidine derivatives useful for the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2010-10-12 US claimed
US-20070129355-A1 G-protein-coupled chemoattractant receptor, expressed on T helper cells antagonists such as [4-(dimethylamino)-2-(4-{[4-(trifluoromethyl)benzoyl]amino}benzyl)-5-pyrimidinyl]acetic acid;, used for the treatment of allergic diseases, inflammatory diseases, eosinophil- and basophil-related diseases ACTIMIS PHARMACEUTICALS, INC. (US) 2007-06-07 US claimed
JP-2006524645-A 2006-11-02 JP claimed
EP-1633726-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 Actimis Pharmaceuticals, Inc., (US) 2006-03-15 EP claimed
EP-1471057-B1 Pyrimidinylacetic acid derivatives useful for the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS INC (US) 2006-01-18 EP claimed
WO-2004096777-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2004-11-11 WO claimed
EP-1471057-A1 Pyrimidinylacetic acid derivatives useful for the treatment of diseases mediated by CRTH2 Bayer HealthCare AG (DE) 2004-10-27 EP claimed
WO-2014079806-A1 PYRIMIDINE COMPOUNDS FOR TREATING HAIRLOSS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-30 WO disclosed
US-20140148470-A1 PYRIMIDINE COMPOUNDS FOR TREATING HAIRLOSS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-29 US disclosed
US-20140148470-A1 PYRIMIDINE COMPOUNDS FOR TREATING HAIRLOSS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-05-29 US disclosed
US-20120129820-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 US disclosed
US-20120129820-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-05-24 US disclosed
US-20070129355-A1 G-protein-coupled chemoattractant receptor, expressed on T helper cells antagonists such as [4-(dimethylamino)-2-(4-{[4-(trifluoromethyl)benzoyl]amino}benzyl)-5-pyrimidinyl]acetic acid;, used for the treatment of allergic diseases, inflammatory diseases, eosinophil- and basophil-related diseases ACTIMIS PHARMACEUTICALS, INC. (US) 2007-06-07 US disclosed
EP-1633726-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 Actimis Pharmaceuticals, Inc., (US) 2006-03-15 EP disclosed
EP-1471057-B1 Pyrimidinylacetic acid derivatives useful for the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS INC (US) 2006-01-18 EP disclosed
WO-2004096777-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2004-11-11 WO disclosed
EP-1471057-A1 Pyrimidinylacetic acid derivatives useful for the treatment of diseases mediated by CRTH2 Bayer HealthCare AG (DE) 2004-10-27 EP 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-20070129355-A1 G-protein-coupled chemoattractant receptor, expressed on T helper cells antagonists such as [4-(dimethylamino)-2-(4-{[4-(trifluoromethyl)benzoyl]amino}benzyl)-5-pyrimidinyl]acetic acid;, used for the treatment of allergic diseases, inflammatory diseases, eosinophil- and basophil-related diseases HRH2, HRH1, HRH4 NR1H4 121/4885PTGDR2 78/4885TBXA2R 48/4885
US-20100322980-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 HRH2, HRH1, CXCR2 NR1H4 148/4885PTGDR2 73/4885TBXA2R 60/4885
US-20140148470-A1 PYRIMIDINE COMPOUNDS FOR TREATING HAIRLOSS TYMS, TYMP, DHFR NR1H4 1282/4885PTGDR2 1511/4885TBXA2R 945/4885
US-20120129820-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS HRH2, HRH1, HRH4 NR1H4 6/4885PTGDR2 11/4885TBXA2R 20/4885

“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.