SCHEMBL2300903

SCHEMBL2300903

CNC(=O)C=C(c1ccccc1)c1cccc2[nH]nc(OC)c12

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 15/20 0.43
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ATM Q13315 1/20 0.39
LRRK2 Q5S007 1/20 0.39
BRAF P15056 1/20 0.36
ABL1 P00519 1/20 0.36
BCR P11274 1/20 0.36
MAOB P27338 1/20 0.35
ADORA2A P29274 1/20 0.35

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
SCHEMBL2300898 1.00 MAPK1 (0.43) MAPK1MEN1KMT2AATMLRRK2
SCHEMBL13182180 0.83 MAPK1 (0.38) MAPK1MEN1KMT2AATMLRRK2
SCHEMBL2300459 0.83 MAPK1 (0.42) MAPK1MEN1KMT2AATMABL1
SCHEMBL2300466 0.83 MAPK1 (0.42) MAPK1MEN1KMT2AATMABL1
SCHEMBL2304594 0.78 MAPK1 (0.41) MAPK1BRAF
SCHEMBL2302185 0.78 MAPK1 (0.43) MAPK1BRAF
SCHEMBL2302182 0.78 MAPK1 (0.43) MAPK1BRAF
SCHEMBL2304756 0.75 ESR1 (0.47)
SCHEMBL2304761 0.75 ESR1 (0.47)
SCHEMBL2300819 0.71 PLK4 (0.51) MEN1KMT2ALRRK2

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
EP-1960355-A1 3-AMINO-1-ARYLPROPYL INDOLES AND AZA-SUBSTITUTED INDOLES F.HOFFMANN-LA ROCHE AG (CH) 2008-08-27 EP 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

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 MAPK1 3379/4885MEN1 2532/4885KMT2A 743/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR MAPK1 3379/4885MEN1 2532/4885KMT2A 743/4885

“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.