SCHEMBL6213639

SCHEMBL6213639

O=C(NCc1ccncc1)c1ccc2c(c1)c(=O)n(Cc1ccccc1)c1nncn21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.52
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
KDR P35968 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
PIK3CA P42336 1/20 0.47
BRD4 O60885 1/20 0.47
MAPK1 P28482 3/20 0.46
MAPK3 P27361 1/20 0.46
ROCK2 O75116 2/20 0.46
GRK2 P25098 1/20 0.46
PARP1 P09874 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
RPS6KA5 O75582 1/20 0.45
MAP4K4 O95819 1/20 0.45
PRKCG P05129 1/20 0.45
PRKACA P17612 1/20 0.45
RPS6KB1 P23443 1/20 0.45
AKT1 P31749 1/20 0.45
GSK3A P49840 1/20 0.45

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
SCHEMBL6213121 0.94 MMP13 (0.49) ALDH1A1MAPTKDM4EKDRRXFP1
SCHEMBL6212605 0.93 PIK3CA (0.46) ALDH1A1MAPTKDM4EKDRRXFP1
SCHEMBL6214009 0.90 PPARG (0.46) ALDH1A1MAPTRXFP1PIK3CAROCK2
SCHEMBL6213339 0.89 PIK3CA (0.44) ALDH1A1RXFP1PIK3CAROCK2PARP1
SCHEMBL6212989 0.88 MMP13 (0.54) ALDH1A1MAPTRXFP1MMP13TP53
SCHEMBL6213632 0.86 ALDH1A1 (0.53) ALDH1A1MAPTKDM4ERXFP1PIK3CA
SCHEMBL6212185 0.85 NPY5R (0.40) MAPTRXFP1PIK3CANPY5RHPGD
SCHEMBL6212062 0.85 MMP13 (0.49) MAPTKDM4EKDRRXFP1MMP13
SCHEMBL6210665 0.84 PPARG (0.54) ALDH1A1MAPTKDM4EMAPK1MMP13
SCHEMBL6211185 0.84 CNR2 (0.49) ALDH1A1MAPTKDM4ESMN1; SMN2MMP13

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
EP-1362048-B1 TRIAZOLO COMPOUNDS AS MMP INHIBITORS WARNER LAMBERT CO (US) 2005-05-04 EP disclosed
US-6849637-B2 Triazolo compounds as MMP inhibitors WARNER-LAMBERT COMPANY (US) 2005-02-01 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 (2 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-20040019053-A1 Combination of an allosteric carboxylic inhibitor of matrix metalloproteinase-13 with celecoxib or valdecoxib MMP13, MMP11, MMP10 ALDH1A1 1764/4885MAPT 1345/4885KDM4E 476/4885
US-20020151558-A1 Triazolo compounds as MMP inhibitors MMP8, MMP13, MMP9 ALDH1A1 2221/4885MAPT 4385/4885KDM4E 2363/4885

“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.