SCHEMBL5615865

SCHEMBL5615865

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

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 4/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ ROCK2 O75116 2/20 0.48
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ POLB P06746 2/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ MTNR1A P48039 1/20 0.47
▸ MTNR1B P49286 1/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ HTT P42858 1/20 0.47
▸ NAMPT P43490 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ MAPT P10636 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
SCHEMBL14602334 0.87 MMP13 (0.56) MMP13SMN1; SMN2ROCK2KMT2AKDM4E
SCHEMBL8358822 0.84 MMP13 (0.69) MMP13SMN1; SMN2ROCK2KMT2ARAB9A
SCHEMBL14602311 0.83 MMP13 (0.55) MMP13L3MBTL1SMN1; SMN2ROCK2KMT2A
SCHEMBL5615877 0.83 LMNA (0.51) MMP13SMN1; SMN2MEN1KMT2APOLB
SCHEMBL14602290 0.83 MMP13 (0.51) MMP13L3MBTL1SMN1; SMN2ROCK2KMT2A
SCHEMBL14602336 0.83 MMP13 (0.51) MMP13SMN1; SMN2ROCK2KMT2AKDM4E
SCHEMBL5615860 0.83 ROCK2 (0.53) MMP13SMN1; SMN2ROCK2KDM4EHSD17B10
SCHEMBL14602327 0.82 NAMPT (0.53) MMP13SMN1; SMN2ROCK2KDM4EHSD17B10
SCHEMBL5615648 0.81 ALDH1A1 (0.53) SMN1; SMN2MEN1KMT2APOLBNPC1
SCHEMBL5615925 0.81 CHRM3 (0.51) MMP13L3MBTL1SMN1; SMN2MEN1KMT2A

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 MMP13 1/4885L3MBTL1 4176/4885SMN1; SMN2 2613/4885

“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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