SCHEMBL5616130

SCHEMBL5616130

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 5/20 0.52
▸ MMP13 P45452 4/20 0.49
▸ HIF1A Q16665 1/20 0.48
▸ NAMPT P43490 4/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ KCNB1 Q14721 2/20 0.47
▸ KCNA5 P22460 1/20 0.47
▸ KCNH2 Q12809 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ HSD17B10 Q99714 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
SCHEMBL5616131 0.87 MMP13 (0.54) ROCK2MMP13HIF1ANAMPTKDM4E
SCHEMBL14602334 0.85 MMP13 (0.56) ROCK2MMP13HIF1ANAMPTSMN1; SMN2
SCHEMBL14602290 0.85 MMP13 (0.51) ROCK2MMP13NAMPTSMN1; SMN2KDM4E
SCHEMBL5615860 0.85 ROCK2 (0.53) ROCK2MMP13HIF1ANAMPTSMN1; SMN2
SCHEMBL14602327 0.84 NAMPT (0.53) ROCK2MMP13HIF1ANAMPTSMN1; SMN2
SCHEMBL14602310 0.83 MMP13 (0.49) ROCK2MMP13NAMPTSMN1; SMN2KDM4E
SCHEMBL14602331 0.83 ROCK2 (0.52) ROCK2MMP13HIF1ANAMPTSMN1; SMN2
SCHEMBL5615596 0.83 ALDH1A1 (0.50) ROCK2MMP13HIF1ANAMPTKDM4E
SCHEMBL5615835 0.83 MMP13 (0.53) ROCK2MMP13NAMPTSMN1; SMN2
SCHEMBL8358822 0.83 MMP13 (0.69) ROCK2MMP13SMN1; SMN2KDM4EHSD17B10

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 6 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
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 ROCK2 3577/4885MMP13 1/4885HIF1A 421/4885

“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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