SCHEMBL1010949

SCHEMBL1010949

COC(=O)Cc1c(Cl)nc(Cc2ccc(NC(=O)Nc3ccccc3)cc2)nc1N(C)CC(=O)NC1CCCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.38
EPHX1 P07099 4/20 0.37
EPHX2 P34913 4/20 0.37
RAB9A P51151 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 1/20 0.37
NPC1 O15118 2/20 0.37
TBXA2R P21731 1/20 0.36
PTGDR Q13258 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP2D6 P10635 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL2003191 0.93 TBXA2R (0.43) SMN1; SMN2LMNAHPGDEPHX1EPHX2
SCHEMBL1652427 0.87 TBXA2R (0.40) LMNAEPHX1EPHX2RAB9AALDH1A1
SCHEMBL12568979 0.87 EPHX2 (0.38) HPGDEPHX1EPHX2RAB9AALDH1A1
SCHEMBL2005214 0.86 PTGDR2 (0.43) HPGDEPHX1RAB9AALDH1A1MAPT
SCHEMBL12568986 0.86 EPHX2 (0.37) HPGDEPHX2RAB9AALDH1A1MAPT
SCHEMBL2007358 0.85 PTGDR2 (0.51) SMN1; SMN2LMNAHPGDRAB9AALDH1A1
SCHEMBL1652114 0.85 EPHX1 (0.42) SMN1; SMN2EPHX1EPHX2RAB9AALDH1A1
SCHEMBL8738226 0.85 PTGDR2 (0.44) SMN1; SMN2LMNAHPGDEPHX2RAB9A
SCHEMBL8737667 0.84 ALDH1A1 (0.48) SMN1; SMN2LMNAHPGDEPHX2ALDH1A1
SCHEMBL1652069 0.84 PTGDR2 (0.44) SMN1; SMN2LMNAHPGDEPHX1EPHX2

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 9 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 disclosed
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-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-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
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

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 SMN1; SMN2 1979/4885LMNA 4788/4885HPGD 602/4885
US-20100322980-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 HRH2, HRH1, CXCR2 SMN1; SMN2 1640/4885LMNA 4793/4885HPGD 297/4885

“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.