SCHEMBL4560169

SCHEMBL4560169

CNCCN(C(C)=O)c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccccc2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.36
RXFP1 Q9HBX9 1/20 0.34
MCHR1 Q99705 1/20 0.34
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
MEN1 O00255 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KDR P35968 4/20 0.33
FLT4 P35916 2/20 0.33
FLT3 P36888 2/20 0.33
KIT P10721 1/20 0.33
TGM2 P21980 1/20 0.33
CYP19A1 P11511 1/20 0.33
THRB P10828 1/20 0.32
BACE1 P56817 1/20 0.32
CES1 P23141 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
SCHEMBL4560167 1.00 LRRK2 (0.36) LRRK2RXFP1MCHR1IDO1TDO2
SCHEMBL4481433 0.95 LRRK2 (0.35) LRRK2RXFP1IDO1TDO2MEN1
SCHEMBL4481431 0.95 LRRK2 (0.35) LRRK2RXFP1IDO1TDO2MEN1
SCHEMBL4492761 0.91 KDM4E (0.35) LRRK2MAPTKDM4E
SCHEMBL4492767 0.91 KDM4E (0.35) LRRK2MAPTKDM4E
SCHEMBL4505215 0.91 MCHR1 (0.33) LRRK2RXFP1MCHR1MEN1MAPT
SCHEMBL4505219 0.91 MCHR1 (0.33) LRRK2RXFP1MCHR1MEN1MAPT
SCHEMBL4504536 0.90 ROCK2 (0.37) LRRK2RXFP1IDO1TDO2KDR
SCHEMBL4491553 0.90 LIMK1 (0.37) LRRK2RXFP1MCHR1IDO1TDO2
SCHEMBL4491548 0.90 LIMK1 (0.37) LRRK2RXFP1MCHR1IDO1TDO2

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 LRRK2 168/4885RXFP1 425/4885MCHR1 666/4885

“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.