SCHEMBL1652104

SCHEMBL1652104

CN(C)c1nc(Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2)nc(Cl)c1CC(=O)O

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 11/20 0.71
TBXA2R P21731 1/20 0.71
PTGDR Q13258 1/20 0.71
MEN1 O00255 1/20 0.45
ALDH1A1 P00352 1/20 0.45
POLB P06746 1/20 0.45
HPGD P15428 1/20 0.45
KMT2A Q03164 1/20 0.45
CTNNB1 P35222 4/20 0.44
TCF7L2 Q9NQB0 4/20 0.44
XDH P47989 1/20 0.44
NR1H4 Q96RI1 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL8737655 0.93 PTGDR2 (0.69) PTGDR2TBXA2RPTGDRCTNNB1TCF7L2
SCHEMBL1652154 0.93 PTGDR2 (0.69) PTGDR2TBXA2RPTGDRALDH1A1NR1H4
SCHEMBL15746418 0.92 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRNR1H4KDM4E
SCHEMBL1654290 0.92 PTGDR2 (0.68) PTGDR2TBXA2RPTGDRMEN1KMT2A
SCHEMBL1652371 0.91 PTGDR2 (0.64) PTGDR2TBXA2RPTGDRMEN1KMT2A
SCHEMBL1652434 0.91 PTGDR2 (0.66) PTGDR2TBXA2RPTGDRALDH1A1POLB
SCHEMBL1652340 0.91 PTGDR2 (0.87) PTGDR2TBXA2RPTGDRCTNNB1TCF7L2
SCHEMBL8739624 0.91 PTGDR2 (0.58) PTGDR2TBXA2RPTGDRMEN1ALDH1A1
SCHEMBL8738714 0.90 PTGDR2 (0.65) PTGDR2TBXA2RPTGDRMEN1ALDH1A1
SCHEMBL1653462 0.90 PTGDR2 (0.65) PTGDR2TBXA2RPTGDRCTNNB1TCF7L2

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 31 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
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-7960393-B2 Pyrimidine derivatives useful for the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2011-06-14 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 PTGDR2 78/4885TBXA2R 48/4885PTGDR 81/4885
US-20100322980-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 HRH2, HRH1, CXCR2 PTGDR2 73/4885TBXA2R 60/4885PTGDR 111/4885
US-20140148470-A1 PYRIMIDINE COMPOUNDS FOR TREATING HAIRLOSS TYMS, TYMP, DHFR PTGDR2 1511/4885TBXA2R 945/4885PTGDR 1386/4885
US-20120129820-A1 NEW PHARMACEUTICAL COMPOSITIONS FOR TREATMENT OF RESPIRATORY AND GASTROINTESTINAL DISORDERS HRH2, HRH1, HRH4 PTGDR2 11/4885TBXA2R 20/4885PTGDR 30/4885

“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.