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Sugi Predict / Compounds / SCHEMBL4499819

SCHEMBL4499819

SCHEMBL4499819

CN1CCN(CC(=O)N(C)c2ccc(NC(=C3C(=O)Nc4cc(F)ccc43)c3ccc(N4CCOC4=O)cc3)cc2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.39
▸ MELK Q14680 6/20 0.37
▸ ELOVL6 Q9H5J4 1/20 0.36
▸ FLT3 P36888 2/20 0.35
▸ PDGFRB P09619 3/20 0.35
▸ FGFR1 P11362 3/20 0.35
▸ KDR P35968 3/20 0.35
▸ ABL1 P00519 2/20 0.35
▸ CSF1R P07333 2/20 0.35
▸ RET P07949 2/20 0.35
▸ KIT P10721 2/20 0.35
▸ FLT1 P17948 2/20 0.35
▸ FGFR3 P22607 2/20 0.35
▸ NTRK1 P04629 1/20 0.35
▸ PDGFRA P16234 1/20 0.35
▸ FGFR2 P21802 1/20 0.35
▸ FGFR4 P22455 1/20 0.35
▸ FLT4 P35916 1/20 0.35
▸ NTRK3 Q16288 1/20 0.35
▸ ALDH1A1 P00352 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
SCHEMBL4499816 1.00 AAK1 (0.39) AAK1MELKELOVL6FLT3PDGFRB
SCHEMBL4494778 0.92 AAK1 (0.39) AAK1MELKPDGFRBFGFR1KDR
SCHEMBL4494783 0.92 AAK1 (0.39) AAK1MELKPDGFRBFGFR1KDR
SCHEMBL4492558 0.89 ELOVL6 (0.37) ELOVL6FLT3PDGFRBALDH1A1KDM1A
SCHEMBL4492562 0.89 ELOVL6 (0.37) ELOVL6FLT3PDGFRBALDH1A1KDM1A
SCHEMBL4501637 0.87 MELK (0.48) AAK1MELKFLT3PDGFRBFGFR1
SCHEMBL4501633 0.87 MELK (0.48) AAK1MELKFLT3PDGFRBFGFR1
SCHEMBL226626 0.86 AAK1 (0.43) AAK1MELKFLT3PDGFRBFGFR1
SCHEMBL226625 0.86 AAK1 (0.43) AAK1MELKFLT3PDGFRBFGFR1
SCHEMBL5856625 0.85 AAK1 (0.40) AAK1MELKFLT3PDGFRBFGFR1

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 4 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
EP-1527046-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-04 — — EP disclosed
WO-2004009546-A1 INDOLINE DERIVATIVES SUBSTITUTED IN POSITION 6, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-01-29 — — 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-20060194813-A1 Indolinone derivatives substituted in the 6 position, the preparation thereof and their use as pharmaceutical compositions KDR, FLT1, EGFR AAK1 1080/4885MELK 579/4885ELOVL6 2925/4885

“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.