SCHEMBL3943047

SCHEMBL3943047

CN(C)CC(=O)N(C)c1ccc(NC(=C2C(=O)Nc3cc(Cl)ccc32)c2ccc(N)c(N)c2)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
AHR P35869 1/20 0.33
LRRK2 Q5S007 1/20 0.33
CA12 O43570 3/20 0.33
CA2 P00918 3/20 0.33
CA9 Q16790 3/20 0.33
CA1 P00915 2/20 0.33
KDR P35968 4/20 0.32
HDAC1 Q13547 1/20 0.32
PLK1 P53350 2/20 0.32
CES1 P23141 1/20 0.32
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
FLT3 P36888 2/20 0.31

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
SCHEMBL227306 0.91 KDR (0.37) NPC1POLBAHRLRRK2CA12
SCHEMBL227305 0.91 KDR (0.37) NPC1POLBAHRLRRK2CA12
SCHEMBL4495826 0.90 MAPT (0.39) CA12CA2CA9CA1ALDH1A1
SCHEMBL3934845 0.90 MAPT (0.39) CA12CA2CA9CA1ALDH1A1
SCHEMBL4506126 0.89 LRRK2 (0.43) NPC1POLBAHRLRRK2KDR
SCHEMBL4506123 0.89 LRRK2 (0.43) NPC1POLBAHRLRRK2KDR
SCHEMBL4500471 0.88 ALDH1A1 (0.37) NPC1POLBAHRLRRK2KDR
SCHEMBL4500472 0.88 ALDH1A1 (0.37) NPC1POLBAHRLRRK2KDR
SCHEMBL4502981 0.87 NPC1 (0.38) NPC1POLBAHRLRRK2KDR
SCHEMBL4502980 0.87 NPC1 (0.38) NPC1POLBAHRLRRK2KDR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551830-B1 HETEROCYCLICALLY SUBSTITUTED INDOLINONES AND THEIR USE AS RECEPTOR TYROSINE KINASE INHIBATORS BOEHRINGER INGELHEIM PHARMA (DE) 2009-04-08 EP disclosed
US-7148249-B2 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2006-12-12 US disclosed
US-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-03-10 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-20050054710-A1 Indolinones substituted by heterocycles, the preparation thereof and their use as medicaments CDK1, CDK2, CDK3 NPC1 4723/4885POLB 1516/4885AHR 800/4885

“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.