SCHEMBL5616948

SCHEMBL5616948

Cc1nc2cnc3ccccc3c2n1CCCCC(=O)N1CCOCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.48
GAA P10253 1/20 0.46
TDP1 Q9NUW8 2/20 0.45
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.44
LMNA P02545 2/20 0.43
MAPT P10636 1/20 0.43
HTT P42858 1/20 0.43
PKM P14618 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 2/20 0.42
POLB P06746 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
GRIN2B Q13224 1/20 0.42
HTR7 P34969 1/20 0.41
MEN1 O00255 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
SCHEMBL5617265 0.93 GAA (0.48) GAATDP1KDM4EALDH1A1NPSR1
SCHEMBL5617028 0.87 HPGD (0.45) HPGDTDP1KDM4EALDH1A1NPSR1
SCHEMBL5617245 0.86 HPGD (0.47) HPGDTDP1KDM4EALDH1A1NPSR1
SCHEMBL5616910 0.85 MEN1 (0.47) HPGDTDP1KDM4EALDH1A1NPSR1
SCHEMBL5616939 0.84 MEN1 (0.46) HPGDTDP1KDM4EALDH1A1NPSR1
SCHEMBL5617132 0.84 HPGD (0.45) HPGDTDP1KDM4EALDH1A1NPSR1
SCHEMBL5616947 0.83 TLR7 (0.51) HPGDGAATDP1KDM4EALDH1A1
SCHEMBL5617029 0.82 LMNA (0.41) HPGDTDP1KDM4ENPSR1LMNA
SCHEMBL5617134 0.80 TDP1 (0.56) HPGDTDP1KDM4EALDH1A1NPSR1
SCHEMBL5616906 0.80 NPSR1 (0.44) TDP1KDM4EALDH1A1NPSR1LMNA

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 HPGD 462/4885GAA 2214/4885TDP1 2878/4885

“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.