SCHEMBL4490086

SCHEMBL4490086

CN(C(=O)CN1CCN(C(=O)OC(C)(C)C)CC1)c1ccc(N/C(=C2\C(=O)Nc3cc(C#N)ccc32)c2ccccc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CETP P11597 2/20 0.40
AAK1 Q2M2I8 1/20 0.37
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
ALDH1A1 P00352 3/20 0.34
MAPT P10636 2/20 0.34
ESR2 Q92731 1/20 0.34
ALK Q9UM73 1/20 0.34
ABCB1 P08183 1/20 0.34
CRBN Q96SW2 1/20 0.34
GPR119 Q8TDV5 2/20 0.33
FAAH O00519 1/20 0.33
LMNA P02545 1/20 0.33
ABL1 P00519 1/20 0.33
NTRK1 P04629 1/20 0.33
CSF1R P07333 1/20 0.33
RET P07949 1/20 0.33
PDGFRB P09619 1/20 0.33

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
SCHEMBL4499569 0.90 DRD4 (0.40) AAK1CHRM2CHRM4CHRM1CHRM3
SCHEMBL4504075 0.90 MEN1 (0.40) AAK1CHRM2CHRM4CHRM1CHRM3
SCHEMBL4490171 0.89 AAK1 (0.45) AAK1ABL1NTRK1CSF1RRET
SCHEMBL4482554 0.89 AAK1 (0.39) AAK1ALDH1A1FAAHABL1NTRK1
SCHEMBL4482559 0.89 AAK1 (0.39) AAK1ALDH1A1FAAHABL1NTRK1
SCHEMBL4490169 0.89 AAK1 (0.45) AAK1ABL1NTRK1CSF1RRET
SCHEMBL4494076 0.87 HTT (0.38) AAK1ALDH1A1LMNA
SCHEMBL4494079 0.87 HTT (0.38) AAK1ALDH1A1LMNA
SCHEMBL4489542 0.87 AAK1 (0.43) AAK1ABL1NTRK1CSF1RRET
SCHEMBL4489538 0.87 AAK1 (0.43) AAK1ABL1NTRK1CSF1RRET

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 CETP 3064/4885AAK1 1080/4885CHRM2 610/4885

“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.