SCHEMBL2303540

SCHEMBL2303540

CNC(=O)CC(c1cccnc1)c1ccc2[nH]nc(Cl)c2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.43
PDE4D Q08499 1/20 0.43
LMNA P02545 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
DYRK1A Q13627 6/20 0.39
MAPK1 P28482 7/20 0.37
CDK7 P50613 1/20 0.37
CYP1A2 P05177 1/20 0.36
GSK3B P49841 1/20 0.36
WNT1 P04628 2/20 0.36
MAPK3 P27361 2/20 0.36
CLK2 P49760 1/20 0.36
CLK3 P49761 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGAV P06756 1/20 0.36
ITGA2B P08514 1/20 0.36

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
SCHEMBL2301515 0.89 ATM (0.42) LMNAHPGDHTTMAPK1GSK3B
SCHEMBL12426730 0.88 PDE4D (0.44) PDE4DDYRK1AMAPK1CDK7ITGB3
SCHEMBL13157460 0.88 PDE4D (0.44) KCNA5PDE4DLMNADYRK1AMAPK1
SCHEMBL2302724 0.82 SLC6A2 (0.44) DYRK1A
SCHEMBL27742058 0.80 MAP2K4 (0.38) KCNA5PDE4DSMN1; SMN2DYRK1ACDK7
SCHEMBL2303392 0.80 PDE4D (0.48) KCNA5PDE4DMAPK1
SCHEMBL2303408 0.79 ATM (0.43) LMNAHPGDHTTSMN1; SMN2MAPK1
SCHEMBL13157449 0.78 MAPK1 (0.39) LMNAMAPK1GSK3BMAPK3
SCHEMBL13157450 0.78 MAPK1 (0.39) LMNAMAPK1GSK3BMAPK3
SCHEMBL13157447 0.78 MAPK1 (0.39) LMNAMAPK1GSK3BMAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101316818-B 3-amino-1-arylpropyl indoles and aza-substituted indoles HOFFMANN LA ROCHE 2011-08-31 CN disclosed
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
CN-101316818-A 3-amino-1-arylpropyl indoles and aza-substituted indoles HOFFMANN LA ROCHE (CH) 2008-12-03 CN 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 KCNA5 1977/4885PDE4D 646/4885LMNA 3826/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR KCNA5 1977/4885PDE4D 646/4885LMNA 3826/4885

“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.