SCHEMBL4477447

SCHEMBL4477447

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

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 3/20 0.34
LRRK2 Q5S007 2/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
AHR P35869 1/20 0.34
PLK1 P53350 5/20 0.33
WEE1 P30291 2/20 0.33
CHEK1 O14757 2/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
KDR P35968 2/20 0.32
CES1 P23141 1/20 0.32
PLK3 Q9H4B4 2/20 0.32
PDGFRB P09619 1/20 0.32
KIT P10721 1/20 0.32
FGFR1 P11362 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
SCHEMBL4477439 1.00 TERT (0.34) TERTLRRK2NPC1POLBAHR
SCHEMBL4496112 0.92 MEN1 (0.34) TERTLRRK2NPC1POLBAHR
SCHEMBL4496106 0.92 MEN1 (0.34) TERTLRRK2NPC1POLBAHR
SCHEMBL4488637 0.92 ALDH1A1 (0.36) TERTLRRK2NPC1POLBAHR
SCHEMBL4488642 0.92 ALDH1A1 (0.36) TERTLRRK2NPC1POLBAHR
SCHEMBL4493805 0.90 KDM4E (0.36) PLK1PLK3
SCHEMBL4493803 0.90 KDM4E (0.36) PLK1PLK3
SCHEMBL225456 0.89 PLK1 (0.34) PLK1KDRPLK3PDGFRBKIT
SCHEMBL225455 0.89 PLK1 (0.34) PLK1KDRPLK3PDGFRBKIT
SCHEMBL4491607 0.88 PLK1 (0.38) TERTLRRK2NPC1POLBAHR

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 TERT 1909/4885LRRK2 168/4885NPC1 3787/4885

“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.