SCHEMBL4715755

SCHEMBL4715755

Cc1cc(CNC(=O)c2cc(C(=O)NCc3ccc(C(=O)NCCN4CCCC4)cc3)ncn2)ccc1F

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP13 P45452 5/20 0.67
▸ MMP10 P09238 1/20 0.59
▸ MMP9 P14780 1/20 0.59
▸ MMP8 P22894 1/20 0.59
▸ NPSR1 Q6W5P4 1/20 0.50
▸ NAMPT P43490 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.47
▸ CYP1A2 P05177 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ GLA P06280 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ POLB P06746 2/20 0.45
▸ SUV39H1 O43463 1/20 0.44
▸ MCHR1 Q99705 1/20 0.44
▸ CACNA1G O43497 1/20 0.44
▸ KIT P10721 1/20 0.43

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
SCHEMBL5616146 0.92 MMP13 (0.63) MMP13MMP10MMP9MMP8NAMPT
SCHEMBL4718606 0.92 MMP13 (0.63) MMP13MMP10MMP9MMP8NPSR1
SCHEMBL5615843 0.89 ALDH1A1 (0.53) MMP13MMP10MMP9MMP8NPSR1
SCHEMBL5616136 0.86 MMP13 (0.78) MMP13MMP10MMP9MMP8
SCHEMBL5616139 0.82 MMP13 (0.78) MMP13MMP10MMP9MMP8ALDH1A1
SCHEMBL4715735 0.82 MMP13 (0.62) MMP13MMP10MMP9MMP8ALDH1A1
SCHEMBL5615881 0.82 MMP13 (0.82) MMP13MMP10MMP9MMP8
SCHEMBL4717829 0.82 CD274 (0.57) MMP13NAMPTALDH1A1
SCHEMBL4719548 0.82 CACNA1G (0.56) MMP13ALDH1A1CYP2D6CYP2C9GLA
SCHEMBL8358823 0.82 MMP13 (1.00) MMP13MMP10MMP9MMP8L3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560815-B1 NOVEL PYRIMIDINE-4,6-DICARBOXAMIDES FOR THE SELECTIVE INHIBITION OF COLLAGENASES SANOFI AVENTIS DEUTSCHLAND (DE) 2008-03-12 — — EP claimed
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