SCHEMBL4719592

SCHEMBL4719592

O=C(NCCN1CCOCC1)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc4c(c3)CCO4)ncn2)cc1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 3/20 0.54
▸ CD274 Q9NZQ7 6/20 0.53
▸ RAB9A P51151 1/20 0.52
▸ EGLN1 Q9GZT9 1/20 0.51
▸ NAMPT P43490 1/20 0.49
▸ ALDH1A1 P00352 2/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ HPGD P15428 1/20 0.46
▸ HPGDS O60760 1/20 0.46

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
SCHEMBL4719943 0.95 RAB9A (0.50) METCD274RAB9AEGLN1ALDH1A1
SCHEMBL4715686 0.94 HPGD (0.52) METCD274RAB9AEGLN1NAMPT
SCHEMBL5615645 0.87 RAB9A (0.59) METRAB9AEGLN1ALDH1A1HPGD
SCHEMBL5616134 0.86 KDM1A (0.51) RAB9AEGLN1HTR1A
SCHEMBL4718388 0.86 RAB9A (0.52) RAB9AEGLN1NAMPTALDH1A1HPGD
SCHEMBL4717221 0.84 RAB9A (0.59) RAB9AEGLN1NAMPTALDH1A1HPGD
SCHEMBL5615905 0.83 RAB9A (0.58) RAB9AEGLN1ALDH1A1HPGD
SCHEMBL8358827 0.83 RAB9A (0.61) RAB9AEGLN1ALDH1A1MAOAMAOB
SCHEMBL5615861 0.83 RAB9A (0.58) RAB9AEGLN1ALDH1A1HPGD
SCHEMBL4717829 0.82 CD274 (0.57) CD274NAMPTALDH1A1HTR1AMAOA

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
EP-1560815-B1 NOVEL PYRIMIDINE-4,6-DICARBOXAMIDES FOR THE SELECTIVE INHIBITION OF COLLAGENASES SANOFI AVENTIS DEUTSCHLAND (DE) 2008-03-12 — — EP claimed
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 — — US claimed
US-20040167120-A1 Novel Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 — — US claimed
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 — — US disclosed
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 — — US disclosed
US-7166609-B2 Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-23 — — US disclosed
US-20040167120-A1 Novel Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2004-08-26 — — 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 (1 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-20040167120-A1 Novel Pyrimidine-4,6-dicarboxylic acid diamides for selectively inhibiting collagenases MMP13, DPYD, MMP1 MET 3754/4885CD274 1141/4885RAB9A 3108/4885

“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.

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