SCHEMBL5615617

SCHEMBL5615617

COc1cccc(CNC(=O)c2cc(C(=O)NCc3ccc(C(=O)N4CCN(c5ccncc5)CC4)cc3)ncn2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ROCK2 O75116 3/20 0.53
▸ PRKACA P17612 2/20 0.53
▸ PRKX P51817 2/20 0.53
▸ PRKCQ Q04759 2/20 0.53
▸ ROCK1 Q13464 2/20 0.53
▸ CYP3A4 P08684 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ GSK3A P49840 1/20 0.53
▸ GSK3B P49841 1/20 0.53
▸ CLK4 Q9HAZ1 1/20 0.53
▸ ALDH1A1 P00352 3/20 0.51
▸ GAA P10253 1/20 0.51
▸ GRK5 P34947 1/20 0.51
▸ AURKA O14965 1/20 0.49
▸ LMNA P02545 2/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ DHODH Q02127 1/20 0.48
▸ MMP13 P45452 2/20 0.47
▸ F10 P00742 2/20 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
SCHEMBL4717082 0.88 KMT2A (0.53) ROCK2PRKACAPRKXPRKCQROCK1
SCHEMBL4720513 0.87 L3MBTL1 (0.53) ROCK2PRKACAPRKXPRKCQROCK1
SCHEMBL5615873 0.85 MMP13 (0.51) ROCK2PRKACAPRKXPRKCQROCK1
SCHEMBL4719433 0.85 MMP13 (0.51) ROCK2PRKACAPRKXPRKCQROCK1
SCHEMBL5616125 0.84 MMP13 (0.50) ROCK2PRKACAPRKXPRKCQROCK1
SCHEMBL4715297 0.84 ROCK2 (0.71) ROCK2PRKACAPRKXPRKCQROCK1
SCHEMBL8348717 0.83 ROCK1 (0.65) ROCK2PRKACAPRKXPRKCQROCK1
SCHEMBL14602326 0.83 DRD2 (0.49) ROCK2PRKACAPRKXPRKCQROCK1
SCHEMBL5615674 0.82 MMP13 (0.47) ROCK2PRKACAPRKXPRKCQROCK1
SCHEMBL3237840 0.81 NAMPT (0.58) ROCK2PRKACAPRKXPRKCQROCK1

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 ROCK2 3577/4885PRKACA 2824/4885PRKX 3387/4885

“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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