SCHEMBL689613

SCHEMBL689613

Cc1csc2nc(C(=O)NCc3cccc(-c4cccc(COc5nc[nH]n5)c4)c3)[nH]c(=O)c12

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MMP13 P45452 20/20 0.63
MMP2 P08253 9/20 0.63
MMP10 P09238 8/20 0.63
MMP8 P22894 7/20 0.63
MMP3 P08254 1/20 0.47

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
SCHEMBL689629 0.87 MMP13 (0.74) MMP13MMP2MMP10MMP8MMP3
SCHEMBL688841 0.85 MMP13 (0.72) MMP13MMP2MMP10MMP8MMP3
SCHEMBL688949 0.83 MMP13 (0.65) MMP13MMP2MMP10MMP8
SCHEMBL689477 0.83 MMP13 (0.72) MMP13MMP2MMP10MMP8MMP3
SCHEMBL4373943 0.81 MMP13 (0.79) MMP13MMP2MMP10MMP8
SCHEMBL688468 0.80 MMP13 (0.66) MMP13MMP2MMP10MMP8MMP3
SCHEMBL4934733 0.79 MMP13 (0.72) MMP13MMP2MMP10MMP8
SCHEMBL10290012 0.79 MMP13 (0.76) MMP13MMP2MMP10MMP8
SCHEMBL688986 0.79 MMP13 (0.73) MMP13MMP2MMP10MMP8
SCHEMBL687679 0.79 MMP13 (0.75) MMP13MMP2MMP10MMP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
EP-1953148-B1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL (JP) 2012-02-29 EP disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-7915267-B2 Heterocyclic amide compound and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-29 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
US-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-05-28 US disclosed
EP-1953148-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2008-08-06 EP 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-20090137603-A1 HETEROCYCLIC AMIDE COMPOUND AND USE THEREOF MMP2, MMP9, MMP1 MMP13 5/4885MMP2 1/4885MMP10 9/4885

“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.