Sugi Predict

Sugi Predict / Compounds / SCHEMBL2006063

SCHEMBL2006063

SCHEMBL2006063

O=C(O)Cc1c(Cl)nc(Cc2ccc(NC(=O)C=Cc3ccccc3)cc2)nc1N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 3/20 0.51
▸ MAPT P10636 4/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ MMP1 P03956 3/20 0.45
▸ MMP2 P08253 3/20 0.45
▸ MMP9 P14780 3/20 0.45
▸ EGFR P00533 3/20 0.45
▸ CHRM1 P11229 1/20 0.44
▸ HTR2A P28223 1/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ HPSE Q9Y251 2/20 0.44
▸ DHFR P00374 1/20 0.42
▸ MAOA P21397 1/20 0.41
▸ MAOB P27338 1/20 0.41
▸ DEGS1 O15121 1/20 0.41
▸ LMNA P02545 2/20 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
SCHEMBL1652750 1.00 PTGDR2 (0.51) PTGDR2MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL1010358 0.94 MAPT (0.54) PTGDR2MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL1010360 0.94 MAPT (0.54) PTGDR2MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL1010338 0.87 PTGDR2 (0.49) PTGDR2MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL1010661 0.87 PTGDR2 (0.49) PTGDR2MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL12953244 0.85 PDE4A (0.40) PTGDR2MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL1652753 0.84 MAPT (0.48) PTGDR2MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL1010857 0.83 PTGDR2 (0.52) PTGDR2MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL1009058 0.83 PTGDR2 (0.52) PTGDR2MAPTRAB9ASMN1; SMN2MEN1
SCHEMBL8738088 0.81 PTGDR2 (0.46) PTGDR2MAPTRAB9ASMN1; SMN2NPC1

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 14 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
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
EP-1471057-A1 Pyrimidinylacetic acid derivatives useful for the treatment of diseases mediated by CRTH2 Bayer HealthCare AG (DE) 2004-10-27 — — EP claimed
US-20150051195-A1 NOVEL VIRAL REPLICATION INHIBITORS CISTIM LEUVEN VZW (BE) 2015-02-19 — — US disclosed
US-8906906-B2 Viral replication inhibitors KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2014-12-09 — — US disclosed
US-20120129840-A1 NOVEL VIRAL REPLICATION INHIBITORS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2012-05-24 — — 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
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-1471057-B1 Pyrimidinylacetic acid derivatives useful for the treatment of diseases mediated by CRTH2 ACTIMIS PHARMACEUTICALS INC (US) 2006-01-18 — — EP 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-20120129840-A1 NOVEL VIRAL REPLICATION INHIBITORS MAVS, EIF2AK2, SAMHD1 PTGDR2 4348/4885MAPT 2788/4885RAB9A 1453/4885
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 78/4885MAPT 2008/4885RAB9A 739/4885
US-20100322980-A1 PYRIMIDINE DERIVATIVES USEFUL FOR THE TREATMENT OF DISEASES MEDIATED BY CRTH2 HRH2, HRH1, CXCR2 PTGDR2 73/4885MAPT 2489/4885RAB9A 1354/4885
US-20150051195-A1 NOVEL VIRAL REPLICATION INHIBITORS MAVS, EIF2AK2, SAMHD1 PTGDR2 4348/4885MAPT 2788/4885RAB9A 1453/4885

“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.