SCHEMBL6488378

SCHEMBL6488378

O=c1c2c(ncn1Cc1ccncc1)CCN(CC#Cc1ccccc1)C2

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 3/20 0.53
MMP13 P45452 7/20 0.40
KDM4E B2RXH2 2/20 0.38
HSD17B10 Q99714 1/20 0.38
GRK2 P25098 1/20 0.38
MAPK1 P28482 1/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
GRM5 P41594 1/20 0.36
CYP1A2 P05177 1/20 0.36
GAA P10253 1/20 0.36
CYP2C9 P11712 1/20 0.36
ADORA2A P29274 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6500875 0.96 CLPP (0.53) CLPPMMP13GRK2DRD2DRD4
SCHEMBL6493978 0.94 CLPP (0.52) CLPPMMP13KDM4EHSD17B10GRK2
SCHEMBL6494214 0.94 CLPP (0.59) CLPPMMP13KDM4ECYP1A2GAA
SCHEMBL6497871 0.90 CLPP (0.55) CLPPMMP13GRK2MAPK1CYP1A2
SCHEMBL6499196 0.89 CLPP (0.54) CLPPMMP13KDM4ECYP1A2GAA
SCHEMBL6498298 0.89 CLPP (0.54) CLPPMMP13KDM4ESMN1; SMN2
SCHEMBL6485693 0.89 CLPP (0.52) CLPPMMP13GAA
SCHEMBL6487633 0.89 CLPP (0.63) CLPPMMP13
SCHEMBL6495058 0.89 CLPP (0.54) CLPPMMP13KDM4EDRD2DRD4
SCHEMBL6486230 0.88 CLPP (0.62) CLPPMMP13CYP1A2GAACYP2C9

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 CLPP 3602/4885MMP13 3/4885KDM4E 1030/4885

“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.