SCHEMBL3943046

SCHEMBL3943046

CN(C(=O)C(C)(C)N)c1ccc(N/C(=C2/C(=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
NOTUM Q6P988 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 5/20 0.32
HDAC1 Q13547 1/20 0.32
PLK1 P53350 2/20 0.32
CES1 P23141 1/20 0.32
FLT3 P36888 4/20 0.31
FLT4 P35916 2/20 0.31
KIT P10721 1/20 0.31
TGM2 P21980 1/20 0.31
AURKB Q96GD4 2/20 0.31
CSF1R P07333 1/20 0.31
BACE1 P56817 1/20 0.30

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
SCHEMBL227304 0.92 KDR (0.36) NPC1POLBAHRLRRK2NOTUM
SCHEMBL4495823 0.90 MAPT (0.37) NPC1CA12CA2CA9CA1
SCHEMBL3934842 0.90 MAPT (0.37) NPC1CA12CA2CA9CA1
SCHEMBL4506120 0.90 LRRK2 (0.42) NPC1POLBAHRLRRK2CA12
SCHEMBL4500469 0.89 LRRK2 (0.35) NPC1POLBAHRLRRK2CA12
SCHEMBL4502977 0.88 NPC1 (0.37) NPC1POLBAHRLRRK2NOTUM
SCHEMBL4476546 0.88 CASP3 (0.37) NPC1CA12CA2CA9CA1
SCHEMBL5856822 0.87 BACE1 (0.36) NPC1POLBAHRLRRK2KDR
SCHEMBL5859779 0.87 RAB9A (0.36) NPC1POLBAHRLRRK2NOTUM
SCHEMBL3944063 0.87 PLK1 (0.32) NPC1POLBAHRLRRK2NOTUM

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.