SCHEMBL3939249

SCHEMBL3939249

CC(=O)N(CCN(C)C)c1ccc(N/C(=C2/C(=O)Nc3cc(Cl)ccc32)c2ccc(N)c(N)c2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.36
LRRK2 Q5S007 2/20 0.34
HDAC1 Q13547 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
AHR P35869 1/20 0.33
IDO1 P14902 2/20 0.32
TDO2 P48775 2/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32
MEN1 O00255 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
KDR P35968 1/20 0.31
PLK1 P53350 2/20 0.31
CES1 P23141 1/20 0.31
MCHR1 Q99705 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
SCHEMBL3939252 1.00 LIMK1 (0.36) LIMK1LRRK2HDAC1NPC1POLB
SCHEMBL3938869 0.95 LRRK2 (0.33) LIMK1LRRK2HDAC1NPC1POLB
SCHEMBL3938877 0.95 LRRK2 (0.33) LIMK1LRRK2HDAC1NPC1POLB
SCHEMBL4491323 0.92 LIMK1 (0.37) LIMK1LRRK2HDAC1NPC1POLB
SCHEMBL4491326 0.92 LIMK1 (0.37) LIMK1LRRK2HDAC1NPC1POLB
SCHEMBL226588 0.92 LIMK1 (0.39) LIMK1LRRK2NPC1POLBAHR
SCHEMBL226587 0.92 LIMK1 (0.39) LIMK1LRRK2NPC1POLBAHR
SCHEMBL4494848 0.90 MAPT (0.38) LIMK1LRRK2NPC1MEN1MAPT
SCHEMBL3935261 0.90 MAPT (0.38) LIMK1LRRK2NPC1MEN1MAPT
SCHEMBL3935258 0.90 MAPT (0.38) LIMK1LRRK2NPC1MEN1MAPT

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 LIMK1 373/4885LRRK2 799/4885HDAC1 788/4885

“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.