SCHEMBL6168739

SCHEMBL6168739

O=c1c2cc(Br)ccc2ccn1Cc1ccc(F)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 3/20 0.48
FGFR4 P22455 3/20 0.48
PSMB1 P20618 3/20 0.45
PSMB5 P28074 3/20 0.45
MAPT P10636 2/20 0.39
LMNA P02545 2/20 0.39
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.38
MAPK14 Q16539 3/20 0.37
PDPK1 O15530 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 1/20 0.36
DDR1 Q08345 1/20 0.36
P2RX7 Q99572 1/20 0.36
IDO1 P14902 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 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
SCHEMBL6168325 0.86 MAPT (0.50) FGFR1FGFR4PSMB1PSMB5MAPT
SCHEMBL6190398 0.86 PSMB1 (0.46) FGFR1FGFR4PSMB1PSMB5LMNA
SCHEMBL6167939 0.83 MAPK14 (0.52) FGFR1FGFR4PSMB1PSMB5LMNA
SCHEMBL31241117 0.81 MAPT (0.55) PSMB1PSMB5MAPTLMNATP53
SCHEMBL6168571 0.81 TBXAS1 (0.43) FGFR1FGFR4MAPTLMNATP53
SCHEMBL31241086 0.81 PSMB1 (0.48) PSMB1PSMB5MAPK14ALDH1A1
SCHEMBL13392342 0.81 PSMB1 (0.48) PSMB1PSMB5MAPK14ALDH1A1
SCHEMBL6171027 0.81 EGLN1 (0.53) PSMB1PSMB5MAPTLMNATP53
SCHEMBL6181448 0.78 DDR1 (0.44) PSMB1PSMB5ALDH1A1DDR1IDO1
SCHEMBL6169682 0.78 MAPT (0.55) PSMB1PSMB5MAPTLMNATP53

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
EP-1530472-A1 ISOQUINOLINE DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS Warner-Lambert Company LLC (US) 2005-05-18 EP disclosed
US-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors BUNKER AMY MAE (US) 2004-03-04 US disclosed
WO-2004014379-A1 ISOQUINOLINE 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-20040044000-A1 Isoquinoline derivatives as matrix metalloproteinase inhibitors MMP1, MMP13, MMP9 FGFR1 2548/4885FGFR4 2750/4885PSMB1 866/4885

“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.