SCHEMBL5615596

SCHEMBL5615596

COc1cccc(CNC(=O)c2cc(C(=O)NCc3ccc(NC(=O)NC(=O)C4CCCCC4)cc3)ncn2)c1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.50
▸ ROCK2 O75116 4/20 0.48
▸ NAMPT P43490 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ POLB P06746 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ MMP13 P45452 2/20 0.45
▸ HIF1A Q16665 1/20 0.45
▸ PKM P14618 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL5616126 0.88 NPC1 (0.57) ALDH1A1ROCK2HSD17B10POLBMMP13
SCHEMBL5616131 0.83 MMP13 (0.54) ROCK2NAMPTHSD17B10CYP3A4CYP2C9
SCHEMBL5616130 0.83 ROCK2 (0.52) ROCK2NAMPTHSD17B10MMP13HIF1A
SCHEMBL14602334 0.82 MMP13 (0.56) ALDH1A1ROCK2NAMPTKMT2AHSD17B10
SCHEMBL5615860 0.81 ROCK2 (0.53) ROCK2NAMPTHSD17B10MMP13HIF1A
SCHEMBL14602327 0.81 NAMPT (0.53) ROCK2NAMPTHSD17B10MMP13HIF1A
SCHEMBL14602331 0.80 ROCK2 (0.52) ROCK2NAMPTKMT2AHSD17B10MEN1
SCHEMBL5615835 0.80 MMP13 (0.53) ROCK2NAMPTKMT2AMEN1TDP1
SCHEMBL8358822 0.79 MMP13 (0.69) ALDH1A1ROCK2KMT2AHSD17B10CYP3A4
SCHEMBL14602311 0.78 MMP13 (0.55) ALDH1A1ROCK2NAMPTKMT2AHSD17B10

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 ALDH1A1 166/4885ROCK2 3577/4885NAMPT 908/4885

“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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