SCHEMBL1652116

SCHEMBL1652116

CN(C)c1nc(Cc2ccc(NC(=O)C=Cc3ccccc3)cc2)nc(Cl)c1CC(=O)O

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 4/20 0.54
TBXA2R P21731 1/20 0.52
PTGDR Q13258 1/20 0.52
EGFR P00533 7/20 0.47
MMP1 P03956 6/20 0.47
MMP2 P08253 6/20 0.47
MMP9 P14780 6/20 0.47
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46
HPSE Q9Y251 1/20 0.46
ACHE P22303 3/20 0.44
BCHE P06276 1/20 0.44
RAB9A P51151 1/20 0.43
DEGS1 O15121 1/20 0.43

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
SCHEMBL1652115 1.00 PTGDR2 (0.54) PTGDR2TBXA2RPTGDREGFRMMP1
SCHEMBL2008263 0.94 PTGDR2 (0.56) PTGDR2TBXA2RPTGDREGFRMMP1
SCHEMBL2008264 0.94 PTGDR2 (0.56) PTGDR2TBXA2RPTGDREGFRMMP1
SCHEMBL1012128 0.93 PTGDR2 (0.58) PTGDR2TBXA2RPTGDREGFRMMP1
SCHEMBL1009825 0.93 PTGDR2 (0.58) PTGDR2TBXA2RPTGDREGFRMMP1
SCHEMBL8739202 0.93 PTGDR2 (0.51) PTGDR2TBXA2RPTGDREGFRMMP1
SCHEMBL1009325 0.90 PTGDR2 (0.57) PTGDR2TBXA2RPTGDREGFRMMP1
SCHEMBL1009327 0.90 PTGDR2 (0.57) PTGDR2TBXA2RPTGDREGFRMMP1
SCHEMBL1010279 0.90 PTGDR2 (0.65) PTGDR2TBXA2RPTGDRMAOB
SCHEMBL1010277 0.90 PTGDR2 (0.65) PTGDR2TBXA2RPTGDRMAOB

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 17 patents. 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
US-7960393-B2 Pyrimidine derivatives useful for the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2011-06-14 US disclosed
US-20100322980-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 GB005, INC. 2010-12-23 US disclosed
US-7812160-B2 Pyrimidine derivatives useful for the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2010-10-12 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 (2 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

“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.