SCHEMBL3443370

SCHEMBL3443370

Cc1nc(Cc2ccc(N)cc2)nc(N2CCCC2)c1CC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 1/20 0.41
PDE4A P27815 1/20 0.41
PDE4B Q07343 1/20 0.41
PDE4C Q08493 1/20 0.41
PDE4D Q08499 1/20 0.41
LMNA P02545 1/20 0.36
HTR6 P50406 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
ALDH1A1 P00352 2/20 0.35
EGLN1 Q9GZT9 5/20 0.34
KMT2A Q03164 2/20 0.34
CYP1A2 P05177 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
OPRK1 P41145 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
NUDT1 P36639 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL12569066 0.88 TLR7 (0.41) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL3443799 0.85 PTGDR2 (0.42) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1010138 0.80 CHRM3 (0.40) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL1009855 0.77 PTGDR2 (0.58) KMT2APTGDR2MEN1
SCHEMBL1227443 0.77 PTGDR2 (0.57) PTGDR2
SCHEMBL12569068 0.74 SIGMAR1 (0.38) CHRM3PDE4APDE4BPDE4CPDE4D
SCHEMBL3443252 0.71 NPSR1 (0.40) PDE4BPDE4DALDH1A1EGLN1CYP1A2
SCHEMBL2787854 0.70 TBXA2R (0.57) LMNAALDH1A1EGLN1CYP1A2PTGDR2
SCHEMBL3443468 0.70 TBXA2R (0.57) LMNAALDH1A1EGLN1CYP1A2PTGDR2
SCHEMBL5475731 0.69 ALDH1A1 (0.47) CHRM3PDE4APDE4BPDE4CPDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CHRM3 529/4885PDE4A 457/4885PDE4B 656/4885
US-20100322980-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 HRH2, HRH1, CXCR2 CHRM3 886/4885PDE4A 536/4885PDE4B 668/4885

“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.