SCHEMBL3230673

SCHEMBL3230673

CNC(=O)CC(c1ccccc1)c1c[nH]c2nccc(Cl)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.40
CDC7 O00311 1/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
MAPK13 O15264 1/20 0.40
PDPK1 O15530 1/20 0.40
DAPK3 O43293 1/20 0.40
DYRK3 O43781 1/20 0.40
ROCK2 O75116 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
ABL1 P00519 1/20 0.40
PRKCG P05129 1/20 0.40
CDK1 P06493 1/20 0.40
ROS1 P08922 1/20 0.40
PIM1 P11309 1/20 0.40
PHKG2 P15735 1/20 0.40
PRKACA P17612 1/20 0.40
RPS6KB1 P23443 1/20 0.40
CDK2 P24941 1/20 0.40

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
SCHEMBL3214951 0.91 KCNA5 (0.44) LRRK2CDC7PLK4CHEK1MAPK13
SCHEMBL3224972 0.84 HPGD (0.41) CDK2AXLCDK9CDK5ATM
SCHEMBL3215106 0.80 MGAM (0.46) AKT1MAP2K1ATMHTTHPGD
SCHEMBL3226173 0.80 SLC6A4 (0.53) LRRK2CDK2CDK9CDK5SLC6A3
SCHEMBL3222528 0.80 PKM (0.42) LRRK2CDC7PLK4CHEK1MAPK13
SCHEMBL27750392 0.79 LRRK2 (0.43) LRRK2CDC7PLK4CHEK1MAPK13
SCHEMBL13431371 0.79 PKM (0.39) LRRK2CDC7PLK4CHEK1MAPK13
SCHEMBL13431334 0.77 PDE4D (0.44) CDK2CDK9CDK5HTTHPGD
SCHEMBL3224154 0.74 MGAM (0.45) ATMHTTHPGDLMNAKCNA5
SCHEMBL3231514 0.74 MGAM (0.50) ROCK2HTTHPGDLMNAKCNA5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF GREENHOUSE ROBERT 2010-03-04 US disclosed
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF GREENHOUSE ROBERT 2010-03-04 US disclosed
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF GREENHOUSE ROBERT 2010-03-04 US disclosed
US-7638517-B2 3-Amino-1-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC (US) 2009-12-29 US disclosed
US-7638517-B2 3-Amino-1-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC (US) 2009-12-29 US disclosed
US-7638517-B2 3-Amino-1-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC (US) 2009-12-29 US disclosed
EP-1957488-B1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF HOFFMANN LA ROCHE (CH) 2009-09-09 EP disclosed
CN-101321752-A 3-amino-2-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC (CH) 2008-12-10 CN disclosed
EP-1957488-A1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF F.HOFFMANN-LA ROCHE AG (CH) 2008-08-20 EP disclosed
WO-2007062998-A1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
WO-2007062998-A1 3-AMINO-2-ARYLPROPYL AZAINDOLES AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2007-06-07 WO disclosed
US-20070123535-A1 3-Amino-1-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 US disclosed
US-20070123535-A1 3-Amino-1-arylpropyl azaindoles and uses thereof ROCHE PALO ALTO LLC 2007-05-31 US disclosed
US-20070123535-A1 3-Amino-1-arylpropyl azaindoles 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-20070123535-A1 3-Amino-1-arylpropyl azaindoles and uses thereof CNKSR1, AR, CYP3A43 LRRK2 2799/4885CDC7 2146/4885PLK4 2715/4885
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF CNKSR1, AR, CYP3A43 LRRK2 2799/4885CDC7 2146/4885PLK4 2715/4885

“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.