SCHEMBL1010026

SCHEMBL1010026

CN(C)c1nc(Cc2ccc(NC(=O)C=Cc3ccccc3)cc2)nc(N2CCOCC2)c1CC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.52
PTGDR2 Q9Y5Y4 2/20 0.47
MAPT P10636 8/20 0.47
ALDH1A1 P00352 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
TBXA2R P21731 1/20 0.46
PTGDR Q13258 1/20 0.46
LMNA P02545 4/20 0.45
MAPK1 P28482 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
HPSE Q9Y251 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
NPC1 O15118 1/20 0.42
MCHR1 Q99705 1/20 0.41
NAMPT P43490 1/20 0.41
ACHE P22303 1/20 0.41

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
SCHEMBL1010012 1.00 RAB9A (0.52) RAB9APTGDR2MAPTALDH1A1MEN1
SCHEMBL1010661 0.93 PTGDR2 (0.49) RAB9APTGDR2MAPTMEN1KMT2A
SCHEMBL1010338 0.93 PTGDR2 (0.49) RAB9APTGDR2MAPTMEN1KMT2A
SCHEMBL1009280 0.92 MAPT (0.56) RAB9APTGDR2MAPTALDH1A1TBXA2R
SCHEMBL1009283 0.92 MAPT (0.56) RAB9APTGDR2MAPTALDH1A1TBXA2R
SCHEMBL8739272 0.92 MAPT (0.44) RAB9APTGDR2MAPTALDH1A1MEN1
SCHEMBL8738541 0.90 MAPT (0.42) RAB9APTGDR2MAPTALDH1A1MEN1
SCHEMBL1010028 0.89 MAPT (0.57) RAB9APTGDR2MAPTALDH1A1MEN1
SCHEMBL1010025 0.89 MAPT (0.57) RAB9APTGDR2MAPTALDH1A1MEN1
SCHEMBL1012128 0.86 PTGDR2 (0.58) PTGDR2TBXA2RPTGDRHPSEMAOA

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4671955-B2 2011-04-20 JP claimed
EP-1633726-B1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS INC (US) 2011-01-05 EP 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
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
EP-1633726-B1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS INC (US) 2011-01-05 EP 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
WO-2004096777-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 ACTIMIS PHARMACEUTICALS, INC. (US) 2004-11-11 WO 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 RAB9A 739/4885PTGDR2 78/4885MAPT 2008/4885
US-20100322980-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 HRH2, HRH1, CXCR2 RAB9A 1354/4885PTGDR2 73/4885MAPT 2489/4885

“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.