SCHEMBL6485909

SCHEMBL6485909

Fc1c(F)c(F)c(CN2C=NC3=C(C2)CN(CC#Cc2nc4ccccc4[nH]2)CC3)c(F)c1F

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DRD2 P14416 2/20 0.32
DRD3 P35462 2/20 0.32
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
HRH1 P35367 1/20 0.32
DRD4 P21917 5/20 0.32
HTT P42858 1/20 0.31
HPGD P15428 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
GFER P55789 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL6485453 0.89 DRD4 (0.37) TP53TSHRMAPK1DRD2DRD3
SCHEMBL6495545 0.88 HTT (0.42) ALOX15DRD2DRD3HTR1AHTR7
SCHEMBL6488328 0.88 DRD4 (0.40) TP53DRD2DRD3HTR1AHTR7
SCHEMBL6496243 0.86 DRD4 (0.43) DRD2DRD3HTR1AHTR7HRH1
SCHEMBL6490571 0.86 DRD4 (0.35) ALOX15DRD2DRD3HTR1AHTR7
SCHEMBL6487052 0.85 DRD4 (0.36) TP53MAPK1DRD2DRD3HTR1A
SCHEMBL6500672 0.85 DRD4 (0.35) DRD2DRD3HTR1AHTR7HRH1
SCHEMBL6486470 0.85 LMNA (0.37) TSHRMAPK1HSD17B10DRD2DRD3
SCHEMBL6494056 0.85 HTR2B (0.41) DRD2DRD3HTR1AHTR7HRH1
SCHEMBL6496267 0.85 DRD2 (0.34) ALOX15DRD2DRD3HTR1AHTR7

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 3 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
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 TP53 3469/4885ALOX15 357/4885TSHR 3027/4885

“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.