SCHEMBL4497129

SCHEMBL4497129

CN1CCN(CC(=O)N(C)c2ccc(N/C(=C3\C(=O)Nc4cc(F)ccc43)c3cc(F)c(F)c(F)c3)cc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 7/20 0.41
AAK1 Q2M2I8 1/20 0.41
ALDH1A1 P00352 1/20 0.39
FLT3 P36888 2/20 0.39
NTRK1 P04629 3/20 0.36
ABL1 P00519 2/20 0.36
CSF1R P07333 2/20 0.36
RET P07949 2/20 0.36
PDGFRB P09619 2/20 0.36
KIT P10721 2/20 0.36
FGFR1 P11362 2/20 0.36
FLT1 P17948 2/20 0.36
FGFR3 P22607 2/20 0.36
KDR P35968 2/20 0.36
PDGFRA P16234 1/20 0.36
FGFR2 P21802 1/20 0.36
FGFR4 P22455 1/20 0.36
FLT4 P35916 1/20 0.36
NTRK3 Q16288 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL4497133 1.00 MELK (0.41) MELKAAK1ALDH1A1FLT3NTRK1
SCHEMBL4501637 0.91 MELK (0.48) MELKAAK1ALDH1A1FLT3NTRK1
SCHEMBL4501633 0.91 MELK (0.48) MELKAAK1ALDH1A1FLT3NTRK1
SCHEMBL225029 0.91 AAK1 (0.46) MELKAAK1ALDH1A1FLT3NTRK1
SCHEMBL225028 0.91 AAK1 (0.46) MELKAAK1ALDH1A1FLT3NTRK1
SCHEMBL4498313 0.89 MELK (0.46) MELKAAK1ALDH1A1FLT3NTRK1
SCHEMBL4498314 0.89 MELK (0.46) MELKAAK1ALDH1A1FLT3NTRK1
SCHEMBL226626 0.89 AAK1 (0.43) MELKAAK1ALDH1A1FLT3NTRK1
SCHEMBL226625 0.89 AAK1 (0.43) MELKAAK1ALDH1A1FLT3NTRK1
SCHEMBL3942659 0.88 AAK1 (0.41) MELKAAK1ALDH1A1FLT3NTRK1

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-7514468-B2 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-04-07 US disclosed
US-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-08-31 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR MELK 579/4885AAK1 1080/4885ALDH1A1 2036/4885

“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.