SCHEMBL12426754

SCHEMBL12426754

CNOC(=O)/C=C(/c1ccc2c(OC)n[nH]c2c1)c1cccc(C)n1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 1/20 0.38
MAPK1 P28482 13/20 0.36
MAP2K4 P45985 2/20 0.36
PAK1 Q13153 1/20 0.34
HDAC6 Q9UBN7 1/20 0.33
BRAF P15056 1/20 0.33

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
SCHEMBL2302529 0.89 LRRK2 (0.40) LRRK2MAPK1MAP2K4PAK1HDAC6
SCHEMBL2302709 0.89 MAPK1 (0.37) LRRK2MAPK1MAP2K4
SCHEMBL2302704 0.89 MAPK1 (0.37) LRRK2MAPK1MAP2K4
SCHEMBL12427134 0.85 KDR (0.41) MAPK1MAP2K4
SCHEMBL13157472 0.85 KDR (0.41) MAPK1MAP2K4
SCHEMBL13181991 0.85 MAPK1 (0.35) LRRK2MAPK1MAP2K4HDAC6BRAF
SCHEMBL12427672 0.84 MAPK1 (0.43) MAPK1BRAF
SCHEMBL13181988 0.83 LRRK2 (0.36) LRRK2MAPK1MAP2K4HDAC6BRAF
SCHEMBL12427663 0.80 ALDH1A1 (0.38) MAPK1BRAF
SCHEMBL13157442 0.76 MAPK1 (0.41) MAPK1BRAF

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2351737-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles F. Hoffmann-La Roche AG (CH) 2011-08-03 EP disclosed
US-7803830-B2 3-amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2010-09-28 US disclosed
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2009-04-16 US disclosed
US-7446118-B2 3-amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC (US) 2008-11-04 US disclosed
WO-2007062996-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 US disclosed
US-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 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 (2 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-20070123527-A1 3-Amino-1-arylpropyl indoles and aza-substituted indoles and uses thereof IDO1, RB1, AHR LRRK2 1458/4885MAPK1 3379/4885MAP2K4 2803/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR LRRK2 1458/4885MAPK1 3379/4885MAP2K4 2803/4885

“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.