SCHEMBL5615595

SCHEMBL5615595

COc1cccc(CNC(=O)c2cc(C(=O)NCc3ccc(C(=O)NCCCN4CCOCC4)cc3)ncn2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ ROCK2 O75116 1/20 0.55
▸ ROCK1 Q13464 1/20 0.55
▸ TSHR P16473 2/20 0.54
▸ CYP2D6 P10635 1/20 0.53
▸ KDM4E B2RXH2 3/20 0.53
▸ NPC1 O15118 2/20 0.53
▸ GAA P10253 2/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52
▸ KMT2A Q03164 3/20 0.52
▸ MEN1 O00255 2/20 0.51
▸ HPGD P15428 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.49
▸ CYP1A2 P05177 1/20 0.49
▸ GLA P06280 1/20 0.49
▸ CYP3A4 P08684 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ LMNA P02545 1/20 0.49

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
SCHEMBL4716615 0.95 CYP2C9 (0.63) CYP2C9CYP2C19ROCK2ROCK1TSHR
SCHEMBL4716344 0.89 CYP2C9 (0.69) CYP2C9CYP2C19ROCK2ROCK1CYP2D6
SCHEMBL4719548 0.87 CACNA1G (0.56) CYP2C9CYP2C19ROCK2ROCK1CYP2D6
SCHEMBL4720513 0.85 L3MBTL1 (0.53) CYP2C9ROCK2ROCK1TSHRCYP2D6
SCHEMBL14602318 0.82 MMP13 (0.59) CYP2C9ROCK2ROCK1CYP2D6HPGD
SCHEMBL5615648 0.82 ALDH1A1 (0.53) KDM4ENPC1KMT2AMEN1HPGD
SCHEMBL4719943 0.81 RAB9A (0.50) CYP2C9TSHRCYP2D6KDM4EKMT2A
SCHEMBL4718384 0.80 L3MBTL1 (0.60) CYP2C9CYP2C19ROCK2KDM4ENPC1
SCHEMBL4720613 0.80 ROCK1 (0.57) CYP2C9ROCK2ROCK1CYP2D6HPGD
SCHEMBL4715297 0.80 ROCK2 (0.71) CYP2C9ROCK2ROCK1CYP2D6CYP3A4

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 CYP2C9 683/4885CYP2C19 710/4885ROCK2 3577/4885

“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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