SCHEMBL4496112

SCHEMBL4496112

CN(C)CCC(=O)N(C)c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccc(N)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PLK1 P53350 7/20 0.33
TERT O14746 3/20 0.33
LRRK2 Q5S007 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
AHR P35869 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
EGFR P00533 2/20 0.32
KDR P35968 4/20 0.32
PLK3 Q9H4B4 3/20 0.32
PDGFRB P09619 3/20 0.32
KIT P10721 2/20 0.32
FGFR1 P11362 2/20 0.32
FLT3 P36888 2/20 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
SCHEMBL4496106 1.00 MEN1 (0.34) MEN1KMT2APLK1TERTLRRK2
SCHEMBL4477439 0.92 TERT (0.34) PLK1TERTLRRK2NPC1POLB
SCHEMBL4477447 0.92 TERT (0.34) PLK1TERTLRRK2NPC1POLB
SCHEMBL4488637 0.91 ALDH1A1 (0.36) PLK1TERTLRRK2NPC1POLB
SCHEMBL4488642 0.91 ALDH1A1 (0.36) PLK1TERTLRRK2NPC1POLB
SCHEMBL4493805 0.89 KDM4E (0.36) PLK1PLK3
SCHEMBL4493803 0.89 KDM4E (0.36) PLK1PLK3
SCHEMBL225455 0.89 PLK1 (0.34) PLK1KDRPLK3PDGFRBKIT
SCHEMBL225456 0.89 PLK1 (0.34) PLK1KDRPLK3PDGFRBKIT
SCHEMBL4491607 0.87 PLK1 (0.38) PLK1TERTLRRK2NPC1POLB

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 MEN1 1288/4885KMT2A 3530/4885PLK1 86/4885

“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.