SCHEMBL6496053

SCHEMBL6496053

COc1ccc(CN2C=NC3=C(C2)CN(CC#Cc2nc4ccccc4[nH]2)CC3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 2/20 0.39
KCNH2 Q12809 1/20 0.38
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MEN1 O00255 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
KMT2A Q03164 1/20 0.37
RELA Q04206 1/20 0.37
CLPP Q16740 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.34
DRD3 P35462 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
POLB P06746 2/20 0.34
DRD2 P14416 2/20 0.34
PKM P14618 1/20 0.34
HTR1A P08908 1/20 0.34
HRH1 P35367 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
SCHEMBL6500021 0.91 DRD4 (0.40) DRD4KCNH2RAB9ANPC1SMN1; SMN2
SCHEMBL6487052 0.91 DRD4 (0.36) DRD4RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL6488328 0.91 DRD4 (0.40) DRD4RAB9ANPC1SMN1; SMN2MEN1
SCHEMBL6496243 0.90 DRD4 (0.43) DRD4RAB9ANPC1MEN1KMT2A
SCHEMBL6499103 0.89 DRD4 (0.35) DRD4RAB9ANPC1KMT2ACLPP
SCHEMBL6494056 0.89 HTR2B (0.41) DRD4L3MBTL1DRD3DRD2HTR1A
SCHEMBL6485453 0.89 DRD4 (0.37) DRD4RAB9ANPC1SMN1; SMN2CLPP
SCHEMBL6500672 0.89 DRD4 (0.35) DRD4L3MBTL1DRD3DRD2HTR1A
SCHEMBL6484812 0.89 DRD2 (0.33) DRD4L3MBTL1DRD3ALDH1A1DRD2
SCHEMBL6486075 0.88 LMNA (0.34) DRD4SMN1; SMN2KMT2ACLPPL3MBTL1

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 DRD4 1688/4885KCNH2 986/4885RAB9A 574/4885

“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.