SCHEMBL4496540

SCHEMBL4496540

CCN1CCN(CC(=O)N(C)c2ccc(N/C(=C3\C(=O)Nc4cc(F)ccc43)c3ccccc3)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 1/20 0.42
CYP3A4 P08684 8/20 0.40
FGFR1 P11362 8/20 0.40
PDGFRA P16234 8/20 0.40
FLT1 P17948 8/20 0.40
KDR P35968 8/20 0.40
AAK1 Q2M2I8 1/20 0.40
ALDH1A1 P00352 1/20 0.39
BACE1 P56817 1/20 0.37
DRD4 P21917 1/20 0.36
NAMPT P43490 1/20 0.36
MAPT P10636 1/20 0.36
GFER P55789 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CHRNB2 P17787 1/20 0.36
CHRNB4 P30926 1/20 0.36
CHRNA3 P32297 1/20 0.36
CHRNA4 P43681 1/20 0.36
ALOX12 P18054 1/20 0.36
TDP1 Q9NUW8 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
SCHEMBL4496542 1.00 MELK (0.42) MELKCYP3A4FGFR1PDGFRAFLT1
SCHEMBL4501637 0.94 MELK (0.48) MELKFGFR1PDGFRAFLT1KDR
SCHEMBL4501633 0.94 MELK (0.48) MELKFGFR1PDGFRAFLT1KDR
SCHEMBL4492885 0.94 MELK (0.41) MELKCYP3A4FGFR1PDGFRAFLT1
SCHEMBL4492883 0.94 MELK (0.41) MELKCYP3A4FGFR1PDGFRAFLT1
SCHEMBL4504920 0.93 MELK (0.40) MELKAAK1ALDH1A1BACE1DRD4
SCHEMBL4504918 0.93 MELK (0.40) MELKAAK1ALDH1A1BACE1DRD4
SCHEMBL4493811 0.92 DRD4 (0.45) MELKAAK1ALDH1A1DRD4NAMPT
SCHEMBL4493815 0.92 DRD4 (0.45) MELKAAK1ALDH1A1DRD4NAMPT
SCHEMBL4492795 0.92 MELK (0.40) MELKCYP3A4FGFR1PDGFRAFLT1

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 MELK 579/4885CYP3A4 441/4885FGFR1 30/4885

“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.