SCHEMBL4716344

SCHEMBL4716344

COc1cccc(CNC(=O)c2cc(C(=O)NCc3cccc(C(=O)NCCN4CCOCC4)c3)ncn2)c1

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 1/20 0.69
▸ CYP2C19 P33261 1/20 0.69
▸ MMP13 P45452 1/20 0.54
▸ DRD4 P21917 7/20 0.54
▸ ROCK2 O75116 1/20 0.53
▸ ROCK1 Q13464 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ ALDH1A1 P00352 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ ALOX15 P16050 1/20 0.52
▸ DRD2 P14416 2/20 0.52
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ PMP22 Q01453 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51

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 0.94 CYP2C9 (0.63) CYP2C9CYP2C19MMP13ROCK2ROCK1
SCHEMBL5615595 0.89 CYP2C9 (0.56) CYP2C9CYP2C19MMP13ROCK2ROCK1
SCHEMBL4719548 0.86 CACNA1G (0.56) CYP2C9CYP2C19MMP13DRD4ROCK2
SCHEMBL4718384 0.86 L3MBTL1 (0.60) CYP2C9CYP2C19MMP13ROCK2KDM4E
SCHEMBL15822962 0.83 CYP2C19 (1.00) CYP2C9CYP2C19DRD4KDM4EALDH1A1
SCHEMBL30098940 0.83 CYP2C19 (1.00) CYP2C9CYP2C19DRD4KDM4EALDH1A1
SCHEMBL4720513 0.81 L3MBTL1 (0.53) CYP2C9MMP13ROCK2ROCK1KDM4E
SCHEMBL5615648 0.80 ALDH1A1 (0.53) KDM4EALDH1A1TP53POLBALOX15
SCHEMBL8358822 0.80 MMP13 (0.69) CYP2C9MMP13ROCK2ROCK1KDM4E
SCHEMBL23471125 0.79 CYP2C19 (0.65) CYP2C9CYP2C19ALDH1A1POLBCYP1A2

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 CYP2C9 683/4885CYP2C19 710/4885MMP13 1/4885

“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