SCHEMBL4492799

SCHEMBL4492799

CN(C(=O)CN1CCNCC1)c1ccc(NC(=C2C(=O)Nc3cc(F)ccc32)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MELK Q14680 2/20 0.40
AAK1 Q2M2I8 1/20 0.38
ALDH1A1 P00352 2/20 0.38
BACE1 P56817 1/20 0.37
IDH1 O75874 1/20 0.36
NAMPT P43490 1/20 0.35
DRD4 P21917 1/20 0.35
KDM4E B2RXH2 2/20 0.34
GAA P10253 1/20 0.34
HSD17B10 Q99714 1/20 0.34
ABL1 P00519 1/20 0.34
NTRK1 P04629 1/20 0.34
CSF1R P07333 1/20 0.34
RET P07949 1/20 0.34
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
FGFR1 P11362 1/20 0.34
PDGFRA P16234 1/20 0.34
FLT1 P17948 1/20 0.34
FGFR2 P21802 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
SCHEMBL4492795 1.00 MELK (0.40) MELKAAK1ALDH1A1BACE1IDH1
SCHEMBL4492883 0.94 MELK (0.41) MELKAAK1ALDH1A1BACE1NAMPT
SCHEMBL4492885 0.94 MELK (0.41) MELKAAK1ALDH1A1BACE1NAMPT
SCHEMBL4504920 0.93 MELK (0.40) MELKAAK1ALDH1A1BACE1IDH1
SCHEMBL4504918 0.93 MELK (0.40) MELKAAK1ALDH1A1BACE1IDH1
SCHEMBL4496948 0.92 BACE1 (0.36) MELKAAK1ALDH1A1BACE1ABL1
SCHEMBL4496942 0.92 BACE1 (0.36) MELKAAK1ALDH1A1BACE1ABL1
SCHEMBL4501637 0.92 MELK (0.48) MELKAAK1ALDH1A1BACE1ABL1
SCHEMBL4496542 0.92 MELK (0.42) MELKAAK1ALDH1A1BACE1NAMPT
SCHEMBL4496540 0.92 MELK (0.42) MELKAAK1ALDH1A1BACE1NAMPT

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.