SCHEMBL2302746

SCHEMBL2302746

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

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.39
CDK7 P50613 2/20 0.39
MAPK1 P28482 10/20 0.39
MAPK3 P27361 6/20 0.39
TRPV1 Q8NER1 1/20 0.38
PRKAB2 O43741 1/20 0.38
PRKAG1 P54619 1/20 0.38
PRKAA2 P54646 1/20 0.38
PRKAA1 Q13131 1/20 0.38
PRKAG3 Q9UGI9 1/20 0.38
PRKAG2 Q9UGJ0 1/20 0.38
PRKAB1 Q9Y478 1/20 0.38

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
SCHEMBL2300680 0.88 JAK2 (0.41) CDK7MAPK1MAPK3
SCHEMBL13157461 0.88 DYRK1A (0.40) DYRK1ACDK7MAPK1MAPK3PRKAB2
SCHEMBL12426727 0.87 CDK7 (0.42) DYRK1ACDK7MAPK1MAPK3
SCHEMBL2302573 0.83 ALDH1A1 (0.42) DYRK1AMAPK1MAPK3
SCHEMBL2302570 0.83 ALDH1A1 (0.42) DYRK1AMAPK1MAPK3
SCHEMBL12426726 0.83 ALDH1A1 (0.42) DYRK1AMAPK1MAPK3
SCHEMBL2302200 0.80 ALDH1A1 (0.39) DYRK1AMAPK1TRPV1PRKAB2PRKAG1
SCHEMBL2302206 0.80 ALDH1A1 (0.39) DYRK1AMAPK1TRPV1PRKAB2PRKAG1
SCHEMBL2301853 0.78 JAK2 (0.42) CDK7MAPK1MAPK3
SCHEMBL12427150 0.75 JAK2 (0.40) CDK7MAPK1MAPK3

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 DYRK1A 357/4885CDK7 110/4885MAPK1 3379/4885
US-20090099236-A1 3-Amino-1-arylpropyl indoles and AZA-substituted indoles and uses thereof IDO1, RB1, AHR DYRK1A 357/4885CDK7 110/4885MAPK1 3379/4885

“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.