SCHEMBL1652154

SCHEMBL1652154

CN(C)c1ccc(C(=O)Nc2ccc(Cc3nc(Cl)c(CC(=O)O)c(N(C)C)n3)cc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 7/20 0.69
TBXA2R P21731 1/20 0.69
PTGDR Q13258 1/20 0.69
TNF P01375 2/20 0.44
NAMPT P43490 1/20 0.44
ALDH1A1 P00352 4/20 0.43
MAPT P10636 4/20 0.43
MAPK1 P28482 2/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
P4HTM Q9NXG6 2/20 0.43
NR1H4 Q96RI1 1/20 0.42
MCL1 Q07820 3/20 0.42
RAB9A P51151 2/20 0.42
LMNA P02545 2/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RECQL P46063 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 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
SCHEMBL1652104 0.93 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRALDH1A1MAPT
SCHEMBL8737655 0.92 PTGDR2 (0.69) PTGDR2TBXA2RPTGDRNR1H4RAB9A
SCHEMBL15746418 0.91 PTGDR2 (0.71) PTGDR2TBXA2RPTGDRNR1H4KDM4E
SCHEMBL1654290 0.91 PTGDR2 (0.68) PTGDR2TBXA2RPTGDRNR1H4RAB9A
SCHEMBL1652434 0.90 PTGDR2 (0.66) PTGDR2TBXA2RPTGDRALDH1A1MAPT
SCHEMBL1652340 0.90 PTGDR2 (0.87) PTGDR2TBXA2RPTGDRNR1H4
SCHEMBL8738714 0.89 PTGDR2 (0.65) PTGDR2TBXA2RPTGDRALDH1A1MAPT
SCHEMBL1652387 0.89 PTGDR2 (0.65) PTGDR2TBXA2RPTGDRMAPTRAB9A
SCHEMBL1652371 0.88 PTGDR2 (0.64) PTGDR2TBXA2RPTGDRNR1H4KDM4E
SCHEMBL8738078 0.88 PTGDR2 (0.64) PTGDR2TBXA2RPTGDRALDH1A1MAPT

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 32 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 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.