SCHEMBL4494079

SCHEMBL4494079

CN(C(=O)CN1CCOCC1)c1ccc(NC(=C2C(=O)Nc3cc(C#N)ccc32)c2ccccc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
ACHE P22303 1/20 0.37
CASR P41180 1/20 0.37
PAK1 Q13153 1/20 0.37
AAK1 Q2M2I8 1/20 0.37
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 4/20 0.36
MOK Q9UQ07 1/20 0.36
TP53 P04637 1/20 0.35
WNT3A P56704 1/20 0.35
CNR1 P21554 1/20 0.35
NAMPT P43490 1/20 0.35
IMPDH2 P12268 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 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
SCHEMBL4494076 1.00 HTT (0.38) HTTACHECASRPAK1AAK1
SCHEMBL4490171 0.92 AAK1 (0.45) AAK1NAMPT
SCHEMBL4482554 0.92 AAK1 (0.39) AAK1ALDH1A1NAMPTKMT2A
SCHEMBL4490169 0.92 AAK1 (0.45) AAK1NAMPT
SCHEMBL4482559 0.92 AAK1 (0.39) AAK1ALDH1A1NAMPTKMT2A
SCHEMBL2569447 0.89 AAK1 (0.41) ACHECASRPAK1AAK1LMNA
SCHEMBL2569449 0.89 AAK1 (0.41) ACHECASRPAK1AAK1LMNA
SCHEMBL4489542 0.89 AAK1 (0.43) AAK1NAMPT
SCHEMBL4489538 0.89 AAK1 (0.43) AAK1NAMPT
SCHEMBL4496710 0.89 ATM (0.41) ACHEPAK1AAK1LMNASMN1; SMN2

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 HTT 3112/4885ACHE 2967/4885CASR 1379/4885

“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.