SCHEMBL5616146

SCHEMBL5616146

Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(C(=O)NCCN4CCOCC4)cc3)ncn2)ccc1F

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 3/20 0.63
▸ MMP10 P09238 1/20 0.57
▸ MMP9 P14780 1/20 0.57
▸ MMP8 P22894 1/20 0.57
▸ POLB P06746 1/20 0.53
▸ CD274 Q9NZQ7 6/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ HTR1A P08908 1/20 0.51
▸ MAOA P21397 1/20 0.51
▸ MAOB P27338 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ NAMPT P43490 1/20 0.50
▸ HPGDS O60760 1/20 0.48
▸ EPHX2 P34913 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL4715755 0.92 MMP13 (0.67) MMP13MMP10MMP9MMP8POLB
SCHEMBL4715735 0.90 MMP13 (0.62) MMP13MMP10MMP9MMP8POLB
SCHEMBL4717829 0.90 CD274 (0.57) MMP13CD274ALDH1A1HTR1AMAOA
SCHEMBL4718606 0.90 MMP13 (0.63) MMP13MMP10MMP9MMP8
SCHEMBL4716774 0.85 MMP13 (0.68) MMP13MMP10MMP9MMP8NAMPT
SCHEMBL5616136 0.84 MMP13 (0.78) MMP13MMP10MMP9MMP8EPHX2
SCHEMBL5615843 0.83 ALDH1A1 (0.53) MMP13MMP10MMP9MMP8CD274
SCHEMBL4716615 0.83 CYP2C9 (0.63) MMP13POLBCD274ALDH1A1SMN1; SMN2
SCHEMBL4719854 0.82 MMP13 (0.68) MMP13MMP10MMP9MMP8
SCHEMBL4719592 0.82 MET (0.54) CD274ALDH1A1HTR1AMAOAMAOB

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 1/4885MMP10 15/4885MMP9 8/4885

“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.

Send feedback