SCHEMBL5618924

SCHEMBL5618924

CCCCc1nc2cnc3cccnc3c2n1CCCC(=O)Cl

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.43
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 3/20 0.41
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.41
TLR7 Q9NYK1 2/20 0.40
AGTR1 P30556 3/20 0.40
AGTR2 P50052 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.39
TLR8 Q9NR97 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE4A P27815 2/20 0.39
PDE4B Q07343 2/20 0.39
PDE4C Q08493 2/20 0.39
PDE4D Q08499 2/20 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
SCHEMBL5618891 0.92 GAA (0.43) ENPP2GAAHTTTP53LMNA
SCHEMBL5616912 0.91 ENPP2 (0.41) ENPP2GAAHTTTP53LMNA
SCHEMBL5617942 0.91 ENPP2 (0.44) ENPP2GAAHTTTP53LMNA
SCHEMBL5618823 0.87 TNF (0.47) ENPP2GAAHTTTP53LMNA
SCHEMBL5617904 0.86 TP53 (0.41) ENPP2GAAHTTTP53LMNA
SCHEMBL27666505 0.86 TLR7 (0.44) ENPP2GAAHTTTP53LMNA
SCHEMBL5617079 0.86 TLR8 (0.36) ENPP2GAATP53LMNAALDH1A1
SCHEMBL5617243 0.85 LMNA (0.43) ENPP2GAAHTTTP53LMNA
SCHEMBL6283963 0.84 TP53 (0.48) ENPP2GAAHTTTP53LMNA
SCHEMBL5617054 0.82 TLR7 (0.36) ENPP2GAATP53ALDH1A1TLR7

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-8778963-B2 Hydroxylamine and oxime substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-07-15 US disclosed
US-20070099901-A1 Hydroxylamine and oxime substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-03 US disclosed
EP-1686992-A2 HYDROXYLAMINE AND OXIME SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M Innovative Properties Company (US) 2006-08-09 EP disclosed
WO-2005051324-A2 HYDROXYLAMINE AND OXIME SUBSTITUTED IMIDAZOQUINOLINES, IMIDAZOPYRIDINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-09 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-20070099901-A1 Hydroxylamine and oxime substituted imidazoquinolines, imidazopyridines, and imidazonaphthyridines IFNG, IRF3, IDO1 ENPP2 2735/4885GAA 3130/4885HTT 2867/4885

“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.