SCHEMBL5617044

SCHEMBL5617044

CCCc1nc2cnc3cccnc3c2n1CCCCCC(=O)N1CCOCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 4/20 0.42
HPGD P15428 4/20 0.42
TDP1 Q9NUW8 1/20 0.42
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
LMNA P02545 4/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
TP53 P04637 2/20 0.39
GLA P06280 1/20 0.38
SIRT3 Q9NTG7 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.36
USP2 O75604 2/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL5616989 0.96 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDTDP1CYP1A2
SCHEMBL5617281 0.93 ALDH1A1 (0.43) ALDH1A1KDM4EHPGDTDP1CYP1A2
SCHEMBL5616923 0.89 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDTDP1CYP1A2
SCHEMBL5617245 0.88 HPGD (0.47) ALDH1A1KDM4EHPGDTDP1CYP1A2
SCHEMBL5617028 0.87 HPGD (0.45) ALDH1A1KDM4EHPGDTDP1CYP1A2
SCHEMBL5616935 0.86 TLR7 (0.42) ALDH1A1KDM4EHPGDTDP1
SCHEMBL5617289 0.85 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDTDP1CYP1A2
SCHEMBL5617107 0.84 LMNA (0.42) ALDH1A1KDM4EHPGDLMNAMAPT
SCHEMBL5616964 0.84 TP53 (0.39) ALDH1A1HPGDLMNAHTTTP53
SCHEMBL5616912 0.84 ENPP2 (0.41) ALDH1A1HPGDLMNAHTTTP53

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 ALDH1A1 1449/4885KDM4E 2766/4885HPGD 462/4885

“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.