SCHEMBL6495446

SCHEMBL6495446

CSc1ccc(Cn2cnc3c(c2=O)CN(CC#Cc2ccccc2)CC3)cc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CLPP Q16740 3/20 0.52
CYP1A2 P05177 1/20 0.41
GAA P10253 1/20 0.41
CYP2C9 P11712 1/20 0.41
ADORA2A P29274 1/20 0.41
MMP13 P45452 8/20 0.40
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.34
PDE5A O76074 1/20 0.34
TNF P01375 1/20 0.34
NOD2 Q9HC29 1/20 0.34
NOD1 Q9Y239 1/20 0.34
GNRHR P30968 1/20 0.34

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
SCHEMBL6486742 0.96 CLPP (0.50) CLPPCYP1A2GAACYP2C9ADORA2A
SCHEMBL6494214 0.91 CLPP (0.59) CLPPCYP1A2GAACYP2C9ADORA2A
SCHEMBL6499196 0.90 CLPP (0.54) CLPPCYP1A2GAACYP2C9ADORA2A
SCHEMBL6498835 0.90 CLPP (0.46) CLPPCYP1A2GAACYP2C9ADORA2A
SCHEMBL6497871 0.89 CLPP (0.55) CLPPCYP1A2GAACYP2C9ADORA2A
SCHEMBL6498298 0.88 CLPP (0.54) CLPPMMP13MEN1KMT2AHTT
SCHEMBL6497781 0.87 CLPP (0.52) CLPPMMP13
SCHEMBL6500010 0.87 CLPP (0.52) CLPPCYP1A2GAACYP2C9ADORA2A
SCHEMBL6495058 0.87 CLPP (0.54) CLPPCYP1A2GAACYP2C9ADORA2A
SCHEMBL6487633 0.87 CLPP (0.63) CLPPMMP13HTT

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 2 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 disclosed
US-20040038960-A1 Fused tetrahydropyridine derivatives as matrix metalloproteinase inhibitors LI JIE JACK (US) 2004-02-26 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 (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 3602/4885CYP1A2 787/4885GAA 711/4885

“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.