SCHEMBL5616131

SCHEMBL5616131

COc1cccc(CNC(=O)c2cc(C(=O)NCc3ccc(NC(=O)NC(=O)c4ccccc4)cc3)ncn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 4/20 0.54
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54
▸ HIF1A Q16665 1/20 0.53
▸ ROCK2 O75116 5/20 0.52
▸ NAMPT P43490 4/20 0.52
▸ LMNA P02545 2/20 0.49
▸ TP53 P04637 1/20 0.49
▸ MAPT P10636 1/20 0.49
▸ 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
▸ HPGD P15428 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
SCHEMBL5615835 0.90 MMP13 (0.53) MMP13ROCK2NAMPTPRKACAPRKX
SCHEMBL5616130 0.87 ROCK2 (0.52) MMP13HIF1AROCK2NAMPTKDM4E
SCHEMBL14602334 0.85 MMP13 (0.56) MMP13HIF1AROCK2NAMPTLMNA
SCHEMBL5615860 0.85 ROCK2 (0.53) MMP13HIF1AROCK2NAMPTKDM4E
SCHEMBL14602329 0.85 NAMPT (0.56) MMP13NPC1RAB9AHIF1AROCK2
SCHEMBL14602327 0.84 NAMPT (0.53) MMP13HIF1AROCK2NAMPTKDM4E
SCHEMBL14602331 0.83 ROCK2 (0.52) MMP13NPC1RAB9AHIF1AROCK2
SCHEMBL5615596 0.83 ALDH1A1 (0.50) MMP13HIF1AROCK2NAMPTCYP3A4
SCHEMBL4720766 0.83 MMP13 (0.73) MMP13RAB9AROCK2LMNACYP3A4
SCHEMBL8358822 0.83 MMP13 (0.69) MMP13RAB9AROCK2LMNACYP3A4

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-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 MMP13 1/4885NPC1 4376/4885RAB9A 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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