SCHEMBL6487406

SCHEMBL6487406

COc1cc(COC(=O)N2CCc3ncn(Cc4ccccc4)c(=O)c3C2)ccn1

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.42
PTGDR2 Q9Y5Y4 11/20 0.42
KDR P35968 1/20 0.41
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CLPP Q16740 1/20 0.40
MMP13 P45452 1/20 0.40
CXCR3 P49682 2/20 0.40
DHFR P00374 1/20 0.40

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
SCHEMBL6502552 0.88 PTGDR2 (0.46) PTGDR2TMEM97SIGMAR1CLPP
SCHEMBL6490708 0.87 TMEM97 (0.48) PKMPTGDR2KDRTMEM97SIGMAR1
SCHEMBL6489890 0.87 CXCR3 (0.45) PKMPTGDR2KDRTMEM97SIGMAR1
SCHEMBL6490686 0.86 PTGDR2 (0.46) PKMPTGDR2TMEM97SIGMAR1
SCHEMBL6488059 0.83 CLPP (0.52) PKMPTGDR2TMEM97SIGMAR1CLPP
SCHEMBL6488326 0.82 PKM (0.54) PKMPTGDR2
SCHEMBL6501807 0.82 HDAC1 (0.44) PKMPTGDR2KDRTMEM97SIGMAR1
SCHEMBL6488032 0.82 HDAC1 (0.46) PKMPTGDR2KDRTMEM97SIGMAR1
SCHEMBL6488619 0.82 PTGDR2 (0.44) PKMPTGDR2TMEM97SIGMAR1CLPP
SCHEMBL6496293 0.82 PKM (0.42) PKMPTGDR2KDRTMEM97SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6869958-B2 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-03-22 US claimed
US-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-02-26 US claimed
WO-2004014909-A1 FUSED TETRAHYDROPYRIDINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO claimed
US-6869958-B2 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors WARNER-LAMBERT COMPANY (US) 2005-03-22 US disclosed
US-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-02-26 US disclosed
WO-2004014909-A1 FUSED TETRAHYDROPYRIDINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 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 (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-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors MMP9, MMP3, MMP13 PKM 606/4885PTGDR2 591/4885KDR 3681/4885

“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.