SCHEMBL5046800

SCHEMBL5046800

O=C(Cc1cccc([CH]CCN2CCOCC2)c1)N1CCC(c2cc(F)ccc2F)=N1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.49
KIF11 P52732 4/20 0.43
EPHX2 P34913 3/20 0.37
HSP90AA1 P07900 1/20 0.36
SRC P12931 1/20 0.36
MAPK14 Q16539 1/20 0.35
PCSK9 Q8NBP7 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
TOP2A P11388 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
SCHEMBL5050458 0.89 MET (0.46) METEPHX2HSP90AA1SRCMAPK14
SCHEMBL5046596 0.88 MET (0.45) METEPHX2HSP90AA1SRCALDH1A1
SCHEMBL5046577 0.83 KIF11 (0.40) METKIF11
SCHEMBL981265 0.75 KIF11 (0.45) METKIF11EPHX2MAPK14PCSK9
SCHEMBL17004383 0.75 MET (0.49) METKIF11ALDH1A1
SCHEMBL5046797 0.71 MAOB (0.40) METALDH1A1
SCHEMBL5046612 0.71 GRM5 (0.37) METALDH1A1
SCHEMBL12922939 0.69 MET (0.72) METEPHX2
SCHEMBL981952 0.69 PARP1 (0.34) METKIF11
SCHEMBL981914 0.68 POLB (0.42) ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080249095-A1 1-Acyldihydropyrazole Derivatives MERCK PATENT GESELLSCHAFT (DE) 2008-10-09 US claimed

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-20080249095-A1 1-Acyldihydropyrazole Derivatives MET, FLT3, ERBB3 MET 1/4885KIF11 3068/4885EPHX2 3630/4885

“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.