SCHEMBL5615873

SCHEMBL5615873

COc1cccc(CNC(=O)c2cc(C(=O)NCc3ccc(C(=O)N4CCC(=O)CC4)cc3)ncn2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 7/20 0.51
▸ DHODH Q02127 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.48
▸ GAA P10253 1/20 0.48
▸ ROCK2 O75116 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ PRKACA P17612 1/20 0.48
▸ GSK3A P49840 1/20 0.48
▸ GSK3B P49841 1/20 0.48
▸ PRKX P51817 1/20 0.48
▸ PRKCQ Q04759 1/20 0.48
▸ ROCK1 Q13464 1/20 0.48
▸ CLK4 Q9HAZ1 1/20 0.48
▸ KDM4E B2RXH2 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ NAMPT P43490 1/20 0.47
▸ KMT2A Q03164 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
SCHEMBL4717082 0.90 KMT2A (0.53) MMP13DHODHMAPTALDH1A1GAA
SCHEMBL4719433 0.89 MMP13 (0.51) MMP13DHODHMAPTALDH1A1GAA
SCHEMBL4720513 0.89 L3MBTL1 (0.53) MMP13DHODHALDH1A1GAAROCK2
SCHEMBL5616125 0.88 MMP13 (0.50) MMP13DHODHALDH1A1GAAROCK2
SCHEMBL5615617 0.85 ROCK2 (0.53) MMP13DHODHMAPTALDH1A1GAA
SCHEMBL5615674 0.85 MMP13 (0.47) MMP13DHODHALDH1A1GAAROCK2
SCHEMBL14602326 0.85 DRD2 (0.49) MMP13DHODHMAPTALDH1A1GAA
SCHEMBL4718384 0.83 L3MBTL1 (0.60) MMP13ALDH1A1ROCK2CYP2C9KDM4E
SCHEMBL4720766 0.82 MMP13 (0.73) MMP13ROCK2CYP3A4CYP2D6CYP2C9
SCHEMBL5615640 0.82 MMP13 (0.60) MMP13ALDH1A1ROCK2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 MMP13 1/4885DHODH 14/4885MAPT 2826/4885

“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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