SCHEMBL4476903

SCHEMBL4476903

CNCCN(C(C)=O)c1ccc(N/C(=C2\C(=O)Nc3cc(F)ccc32)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.40
TGM2 P21980 1/20 0.36
MAPT P10636 3/20 0.34
PDGFRB P09619 2/20 0.34
KDR P35968 2/20 0.34
FLT3 P36888 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
ACHE P22303 1/20 0.34
TP53 P04637 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
AURKA O14965 1/20 0.34
PDGFRA P16234 1/20 0.34
AURKB Q96GD4 1/20 0.34
AURKC Q9UQB9 1/20 0.34
MCHR1 Q99705 1/20 0.33
PRKAA2 P54646 1/20 0.32
PRKAA1 Q13131 1/20 0.32
BRD4 O60885 1/20 0.32
CSF1R P07333 1/20 0.32
NPC1 O15118 1/20 0.32

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
SCHEMBL4476912 1.00 BACE1 (0.40) BACE1TGM2MAPTPDGFRBKDR
SCHEMBL4490084 0.92 BACE1 (0.39) BACE1TGM2MAPTPDGFRBKDR
SCHEMBL4490077 0.92 BACE1 (0.39) BACE1TGM2MAPTPDGFRBKDR
SCHEMBL4495040 0.91 BACE1 (0.35) BACE1TGM2PDGFRBKDRFLT3
SCHEMBL4495046 0.91 BACE1 (0.35) BACE1TGM2PDGFRBKDRFLT3
SCHEMBL4489676 0.91 BACE1 (0.34) BACE1TGM2PDGFRBKDRFLT3
SCHEMBL4489681 0.91 BACE1 (0.34) BACE1TGM2PDGFRBKDRFLT3
SCHEMBL4494303 0.90 BACE1 (0.41) BACE1TGM2MAPTPDGFRBKDR
SCHEMBL4494308 0.90 BACE1 (0.41) BACE1TGM2MAPTPDGFRBKDR
SCHEMBL6182458 0.90 BACE1 (0.41) BACE1TGM2MAPTPDGFRBKDR

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 BACE1 1615/4885TGM2 4379/4885MAPT 545/4885

“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.