SCHEMBL6214009

SCHEMBL6214009

COC(=O)c1ccc(Cn2c(=O)c3cc(C(=O)NCc4ccncc4)ccc3n3cnnc23)cc1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.46
PIK3CA P42336 1/20 0.45
MMP13 P45452 4/20 0.44
RXFP1 Q9HBX9 1/20 0.42
ROCK2 O75116 1/20 0.41
NAMPT P43490 2/20 0.41
PARP1 P09874 1/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
BACE1 P56817 1/20 0.41

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
SCHEMBL6213923 0.92 MMP13 (0.54) PPARGMMP13RXFP1LMNAPOLB
SCHEMBL6213121 0.91 MMP13 (0.49) PPARGPIK3CAMMP13RXFP1PARP1
SCHEMBL6212605 0.90 PIK3CA (0.46) PIK3CAMMP13RXFP1ROCK2PARP1
SCHEMBL6213639 0.90 ALDH1A1 (0.52) PIK3CAMMP13RXFP1ROCK2PARP1
SCHEMBL6213339 0.87 PIK3CA (0.44) PIK3CAMMP13RXFP1ROCK2NAMPT
SCHEMBL6214403 0.86 ESR1 (0.54) PPARGRXFP1POLBMAPTTP53
SCHEMBL6212989 0.85 MMP13 (0.54) PPARGMMP13RXFP1LMNAPOLB
SCHEMBL6212954 0.85 MMP13 (0.60) PPARGMMP13RXFP1LMNAPOLB
SCHEMBL6214058 0.84 MMP13 (0.54) PPARGMMP13RXFP1ROCK2LMNA
SCHEMBL6730033 0.83 PARG (0.52) PPARGPIK3CAMMP13ROCK2NAMPT

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-1362048-B1 TRIAZOLO COMPOUNDS AS MMP INHIBITORS WARNER LAMBERT CO (US) 2005-05-04 EP claimed
US-6849637-B2 Triazolo compounds as MMP inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-01 US claimed
US-20020151558-A1 Triazolo compounds as MMP inhibitors ANDRIANJARA CHARLES (FR) 2002-10-17 US claimed
US-6849637-B2 Triazolo compounds as MMP inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-01 US disclosed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib ROARK WILLIAM HOWARD (US) 2004-01-29 US disclosed
US-20020151558-A1 Triazolo compounds as MMP inhibitors ANDRIANJARA CHARLES (FR) 2002-10-17 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 (3 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-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 PPARG 1806/4885PIK3CA 2595/4885MMP13 1/4885
US-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 PPARG 497/4885PIK3CA 1232/4885MMP13 1/4885
US-20020151558-A1 Triazolo compounds as MMP inhibitors MMP8, MMP13, MMP9 PPARG 3314/4885PIK3CA 3926/4885MMP13 2/4885

“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.