SCHEMBL3229435

SCHEMBL3229435

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 1/20 0.47
LMNA P02545 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
GRM8 O00222 1/20 0.43
GRM4 Q14833 1/20 0.43
ALDH1A1 P00352 1/20 0.41
MAP2K1 Q02750 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GPR84 Q9NQS5 1/20 0.41
MTNR1A P48039 1/20 0.40
MET P08581 2/20 0.40
CAMKK2 Q96RR4 1/20 0.39
MGAM O43451 1/20 0.39
GAA P10253 1/20 0.39
SI P14410 1/20 0.39
MGAM2 Q2M2H8 1/20 0.39
ADORA2A P29274 1/20 0.38
AKT1 P31749 2/20 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
SCHEMBL3215106 0.92 MGAM (0.46) KCNA5LMNAHPGDHTTSMN1; SMN2
SCHEMBL3225643 0.88 GRM8 (0.46) LMNAHPGDHTTSMN1; SMN2GRM8
SCHEMBL3214951 0.83 KCNA5 (0.44) KCNA5LMNAHPGDHTTSMN1; SMN2
SCHEMBL13431334 0.81 PDE4D (0.44) KCNA5LMNAHPGDHTTSMN1; SMN2
SCHEMBL3226994 0.80 SLC6A4 (0.56) GRM8GRM4GPR84MTNR1AMET
SCHEMBL3231514 0.78 MGAM (0.50) KCNA5LMNAHPGDHTTSMN1; SMN2
SCHEMBL3229458 0.78 MGAM (0.50) KCNA5LMNAHPGDHTTSMN1; SMN2
SCHEMBL3224552 0.77 GRM8 (0.47) GRM8GRM4MAP2K1GPR84MTNR1A
SCHEMBL3224154 0.74 MGAM (0.45) KCNA5LMNAHPGDHTTSMN1; SMN2
SCHEMBL2074242 0.74 MGAM (0.67) ALDH1A1L3MBTL1GPR84MGAMGAA

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 KCNA5 2343/4885LMNA 3077/4885HPGD 1352/4885
US-20100056499-A1 3-AMINO-1-ARYLPROPYL AZAINDOLES AND USES THEREOF CNKSR1, AR, CYP3A43 KCNA5 2343/4885LMNA 3077/4885HPGD 1352/4885

“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.