SCHEMBL4493366

SCHEMBL4493366

CN(C)CCCc1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccc(CC(=O)O)cc2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PLK1 P53350 9/20 0.40
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
PLK3 Q9H4B4 8/20 0.37
PDGFRB P09619 7/20 0.37
KDR P35968 7/20 0.37
KIT P10721 5/20 0.37
FGFR1 P11362 5/20 0.37
FLT3 P36888 5/20 0.37
CPT1A P50416 2/20 0.35
CPT1B Q92523 2/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SRC P12931 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
SCHEMBL4493362 1.00 PLK1 (0.40) PLK1KDM4EMAPTPLK3PDGFRB
SCHEMBL4498426 0.95 HRH3 (0.41) PLK1KDM4EMAPTCPT1ACPT1B
SCHEMBL4498431 0.95 HRH3 (0.41) PLK1KDM4EMAPTCPT1ACPT1B
SCHEMBL227165 0.93 PLK1 (0.41) PLK1PLK3PDGFRBKDRKIT
SCHEMBL227164 0.93 PLK1 (0.41) PLK1PLK3PDGFRBKDRKIT
SCHEMBL4490680 0.92 PLK1 (0.42) PLK1KDM4EMAPTPLK3PDGFRB
SCHEMBL4499144 0.92 PLK1 (0.48) PLK1KDM4EMAPTPLK3PDGFRB
SCHEMBL4499140 0.92 PLK1 (0.48) PLK1KDM4EMAPTPLK3PDGFRB
SCHEMBL4490675 0.92 PLK1 (0.42) PLK1KDM4EMAPTPLK3PDGFRB
SCHEMBL4503258 0.91 PLK1 (0.43) PLK1KDM4EPLK3PDGFRBKDR

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 PLK1 86/4885KDM4E 1648/4885MAPT 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.