SCHEMBL5957565

SCHEMBL5957565

COC(=O)c1cn2c(=O)n(Cc3ccccc3)c(=O)cc2s1

nearest known ligand 0.78

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 1/20 0.78
SMN1; SMN2 Q16637 4/20 0.57
KDM4E B2RXH2 1/20 0.57
KMT2A Q03164 1/20 0.57
NPSR1 Q6W5P4 4/20 0.50
MAPK1 P28482 3/20 0.50
TRPA1 O75762 6/20 0.46
ALDH1A1 P00352 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
MAPT P10636 3/20 0.45
THRB P10828 1/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HPGD P15428 1/20 0.42
MAPK8 P45983 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
SCHEMBL5957360 0.89 MMP13 (0.74) MMP13SMN1; SMN2KDM4EKMT2ANPSR1
SCHEMBL5957461 0.87 MMP13 (1.00) MMP13SMN1; SMN2KDM4EKMT2ANPSR1
SCHEMBL5957700 0.83 MMP13 (0.66) MMP13SMN1; SMN2KDM4EKMT2ATRPA1
SCHEMBL5957475 0.82 MMP13 (0.88) MMP13SMN1; SMN2KDM4EKMT2ANPSR1
SCHEMBL5957708 0.81 MMP13 (0.67) MMP13SMN1; SMN2KDM4EKMT2ATRPA1
Hydrochloric Acid SCHEMBL5957471 0.81 MMP13 (0.86) MMP13SMN1; SMN2KDM4EKMT2ANPSR1
SCHEMBL7012216 0.80 MMP13 (0.61) MMP13SMN1; SMN2KDM4EKMT2ATRPA1
SCHEMBL5957834 0.79 MMP13 (0.61) MMP13SMN1; SMN2KDM4EKMT2ATRPA1
SCHEMBL7106604 0.79 MMP13 (0.60) MMP13SMN1; SMN2KDM4EKMT2ANPSR1
SCHEMBL5957426 0.78 TRPA1 (0.67) MMP13SMN1; SMN2KDM4EKMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060040957-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY 2006-02-23 US disclosed
EP-1361873-A4 MATRIX METALLOPROTEINASE INHIBITORS WARNER LAMBERT CO (US) 2005-10-26 EP disclosed
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2005-01-06 US disclosed
EP-1362054-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
EP-1361873-A2 MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2003-11-19 EP disclosed
US-20030078276-A1 Matrix metalloproteinase inhibitors ANDRIANJARA CHARLES (FR) 2003-04-24 US disclosed
WO-2002064080-A2 MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LCC (US) 2002-08-22 WO disclosed
WO-2002064599-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-08-22 WO 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-20060040957-A1 BICYCLIC PYRIMIDINE MATRIX METALLOPROTEINASE INHIBITORS MMP13, MMP25, MMP15 MMP13 1/4885SMN1; SMN2 1727/4885KDM4E 1506/4885
US-20050004126-A1 Method of determining potential allosterically-binding matrix metalloproteinase inhibitors MMP13, MMP12, MMP25 MMP13 1/4885SMN1; SMN2 1854/4885KDM4E 2484/4885
US-20030078276-A1 Matrix metalloproteinase inhibitors MMP13, MMP25, MMP12 MMP13 1/4885SMN1; SMN2 1745/4885KDM4E 2733/4885

“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.