SCHEMBL3938877

SCHEMBL3938877

CC(=O)N(CCCN(C)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
LRRK2 Q5S007 2/20 0.33
PLK1 P53350 7/20 0.33
LIMK1 P53667 1/20 0.33
HDAC1 Q13547 1/20 0.32
RPS6KA2 Q15349 1/20 0.32
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.32
AHR P35869 1/20 0.32
RAB9A P51151 1/20 0.32
KDR P35968 6/20 0.31
PLK3 Q9H4B4 5/20 0.31
PDGFRB P09619 5/20 0.31
LCK P06239 2/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
F2 P00734 1/20 0.31
F10 P00742 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 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
SCHEMBL3938869 1.00 LRRK2 (0.33) LRRK2PLK1LIMK1HDAC1RPS6KA2
SCHEMBL3939249 0.95 LIMK1 (0.36) LRRK2PLK1LIMK1HDAC1NPC1
SCHEMBL3939252 0.95 LIMK1 (0.36) LRRK2PLK1LIMK1HDAC1NPC1
SCHEMBL225448 0.92 LRRK2 (0.36) LRRK2PLK1LIMK1NPC1POLB
SCHEMBL225449 0.92 LRRK2 (0.36) LRRK2PLK1LIMK1NPC1POLB
SCHEMBL3937769 0.90 MAPT (0.37) LRRK2PLK1
SCHEMBL4488274 0.90 MAPT (0.37) LRRK2PLK1
SCHEMBL3937768 0.90 MAPT (0.37) LRRK2PLK1
SCHEMBL4488452 0.90 LRRK2 (0.35) LRRK2PLK1LIMK1NPC1POLB
SCHEMBL4488448 0.90 LRRK2 (0.35) LRRK2PLK1LIMK1NPC1POLB

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 LRRK2 799/4885PLK1 86/4885LIMK1 373/4885

“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.