SCHEMBL5616906

SCHEMBL5616906

CCCc1nc2cnc3ccccc3c2n1CCC(=O)N1CCOCC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.41
POLB P06746 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
FKBP1A P62942 1/20 0.41
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.40
HTT P42858 1/20 0.40
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
SIRT3 Q9NTG7 1/20 0.40
KDM4E B2RXH2 2/20 0.40
PKM P14618 1/20 0.40
GRIN2B Q13224 1/20 0.39

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
SCHEMBL5617028 0.94 HPGD (0.45) NPSR1TDP1SMN1; SMN2POLBRXFP1
SCHEMBL5617245 0.93 HPGD (0.47) NPSR1TDP1SMN1; SMN2POLBRXFP1
SCHEMBL5617064 0.90 MEN1 (0.49) NPSR1TDP1SMN1; SMN2POLBRXFP1
SCHEMBL5616913 0.88 NPSR1 (0.42) NPSR1TDP1SMN1; SMN2POLBRXFP1
SCHEMBL5617265 0.86 GAA (0.48) NPSR1TDP1SMN1; SMN2POLBRXFP1
SCHEMBL5616910 0.84 MEN1 (0.47) NPSR1TDP1KMT2AMEN1ALDH1A1
SCHEMBL5616939 0.83 MEN1 (0.46) NPSR1TDP1KMT2AMEN1ALDH1A1
SCHEMBL5616957 0.83 TLR7 (0.58)
SCHEMBL5617012 0.83 TLR7 (0.39) NPSR1TDP1SMN1; SMN2POLBRXFP1
SCHEMBL5617029 0.83 LMNA (0.41) NPSR1TDP1POLBRXFP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8697873-B2 Amide substituted imidazopyridines, imidazoquinolines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-04-15 US disclosed
US-20070219196-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2007-09-20 US disclosed
EP-1730143-A2 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES 3M Innovative Properties Company (US) 2006-12-13 EP disclosed
WO-2005094531-A2 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-10-13 WO 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 (1 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-20070219196-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES IL2, IL4, IFNG NPSR1 3855/4885TDP1 2878/4885SMN1; SMN2 3333/4885

“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.