SCHEMBL3218993

SCHEMBL3218993

O=C(O)CC(c1ccccc1)c1c[nH]c2cnccc12

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MGAM O43451 12/20 0.55
GAA P10253 12/20 0.55
SI P14410 12/20 0.55
MGAM2 Q2M2H8 12/20 0.55
PNP P00491 1/20 0.46
GSK3B P49841 1/20 0.43
DYRK1A Q13627 1/20 0.43
HAT1 O14929 2/20 0.42
EP300 Q09472 2/20 0.42
CYP2D6 P10635 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
KCNH2 Q12809 1/20 0.41
MEN1 O00255 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
ROCK2 O75116 1/20 0.40
CNR1 P21554 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
SCHEMBL3214916 0.90 MGAM (0.55) MGAMGAASIMGAM2PNP
SCHEMBL3231514 0.87 MGAM (0.50) MGAMGAASIMGAM2HAT1
SCHEMBL30919353 0.85 MGAM (0.64) MGAMGAASIMGAM2CYP2D6
SCHEMBL15731796 0.85 MGAM (0.64) MGAMGAASIMGAM2CYP2D6
SCHEMBL15709191 0.85 MGAM (0.64) MGAMGAASIMGAM2CYP2D6
SCHEMBL15148952 0.83 MGAM (0.76) MGAMGAASIMGAM2CYP2D6
SCHEMBL25425103 0.81 DYRK1A (0.41) MGAMGAASIMGAM2GSK3B
SCHEMBL4266740 0.79 MAPT (0.48) MGAMGAASIMGAM2GSK3B
SCHEMBL26873731 0.79 MAPT (0.48) MGAMGAASIMGAM2GSK3B
SCHEMBL3215303 0.77 SLC6A4 (0.72) MGAMGAASIMGAM2GSK3B

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 13 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-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 MGAM 3879/4885GAA 3358/4885SI 2178/4885
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF CNKSR1, AR, CYP3A43 MGAM 3879/4885GAA 3358/4885SI 2178/4885

“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.