SCHEMBL3225643

SCHEMBL3225643

O=C(O)CC(c1cccnc1)c1c[nH]c2ncccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM8 O00222 1/20 0.46
GRM4 Q14833 1/20 0.46
TBXAS1 P24557 1/20 0.42
CAMKK2 Q96RR4 1/20 0.42
MAP2K1 Q02750 1/20 0.42
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MGAM O43451 1/20 0.41
GAA P10253 1/20 0.41
SI P14410 1/20 0.41
MGAM2 Q2M2H8 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
MET P08581 2/20 0.41
ADORA2A P29274 1/20 0.41
ITGB3 P05106 3/20 0.41
ITGAV P06756 3/20 0.41
MTNR1A P48039 1/20 0.41
CTSA P10619 1/20 0.41

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
SCHEMBL3229435 0.88 KCNA5 (0.47) GRM8GRM4CAMKK2MAP2K1LMNA
SCHEMBL3222528 0.81 PKM (0.42) TBXAS1MAP2K1ITGB3ITGAVCTSA
SCHEMBL3224552 0.81 GRM8 (0.47) GRM8GRM4CAMKK2MAP2K1GPR84
SCHEMBL25300621 0.79 GRM8 (0.55) GRM8GRM4CAMKK2MAP2K1GPR84
SCHEMBL15142332 0.79 GRM8 (0.49) GRM8GRM4CAMKK2MAP2K1GPR84
SCHEMBL3226994 0.79 SLC6A4 (0.56) GRM8GRM4GPR84METMTNR1A
SCHEMBL3215106 0.79 MGAM (0.46) GRM8GRM4CAMKK2MAP2K1LMNA
SCHEMBL13431332 0.78 PDE4D (0.47) ITGB3ITGAVCTSAITGA2B
SCHEMBL3215101 0.75 MAP2K1 (0.48) GRM8GRM4CAMKK2MAP2K1GAA
SCHEMBL11990053 0.75 TBXAS1 (0.63) TBXAS1LMNAHPGDHTTSMN1; SMN2

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 11 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
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

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 GRM8 3223/4885GRM4 3565/4885TBXAS1 1901/4885
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF CNKSR1, AR, CYP3A43 GRM8 3223/4885GRM4 3565/4885TBXAS1 1901/4885

“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.