SCHEMBL4717829

SCHEMBL4717829

O=C(NCCN1CCOCC1)c1ccc(CNC(=O)c2cc(C(=O)NCc3ccc(F)c(Cl)c3)ncn2)cc1

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 4/20 0.57
▸ ALDH1A1 P00352 3/20 0.57
▸ HTR1A P08908 1/20 0.57
▸ MAOA P21397 1/20 0.57
▸ MAOB P27338 1/20 0.57
▸ KCNH2 Q12809 1/20 0.57
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ EPHX2 P34913 2/20 0.51
▸ NAMPT P43490 1/20 0.51
▸ TDO2 P48775 1/20 0.49
▸ EGFR P00533 1/20 0.49
▸ MMP13 P45452 1/20 0.48

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
SCHEMBL5615843 0.93 ALDH1A1 (0.53) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL5616146 0.90 MMP13 (0.63) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL4720578 0.85 MMP13 (0.52) SMN1; SMN2NAMPTMMP13
SCHEMBL4719592 0.82 MET (0.54) CD274ALDH1A1HTR1AMAOAMAOB
SCHEMBL4715755 0.82 MMP13 (0.67) ALDH1A1NAMPTMMP13
SCHEMBL4716615 0.82 CYP2C9 (0.63) CD274ALDH1A1SMN1; SMN2MMP13
SCHEMBL4715735 0.81 MMP13 (0.62) ALDH1A1MMP13
SCHEMBL4719708 0.81 MMP13 (0.55) ALDH1A1SMN1; SMN2NAMPTMMP13
SCHEMBL6479481 0.80 MMP13 (0.71) MMP13
SCHEMBL4718606 0.80 MMP13 (0.63) MMP13

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 CD274 1141/4885ALDH1A1 166/4885HTR1A 2734/4885

“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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