SCHEMBL5618129

SCHEMBL5618129

CCCc1nc2cnc3cccnc3c2n1CCCC=O

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE10A Q9Y233 3/20 0.37
GAA P10253 1/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
TLR7 Q9NYK1 2/20 0.36
TP53 P04637 3/20 0.35
ENPP2 Q13822 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
TLR8 Q9NR97 1/20 0.34
TSHR P16473 1/20 0.33
BRD4 O60885 1/20 0.33
ALDH1A1 P00352 1/20 0.33

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
SCHEMBL3176214 0.85 TLR7 (0.49) HPGDSMN1; SMN2PDE10AGAAHTT
SCHEMBL4312799 0.85 SMN1; SMN2 (0.40) HPGDSMN1; SMN2PDE10AGAAHTT
SCHEMBL5617904 0.85 TP53 (0.41) HPGDSMN1; SMN2PDE10AGAAHTT
SCHEMBL5618002 0.85 SMN1; SMN2 (0.38) HPGDSMN1; SMN2PDE10AGAAHTT
SCHEMBL5618007 0.85 SMN1; SMN2 (0.38) HPGDSMN1; SMN2PDE10AGAAHTT
SCHEMBL4316388 0.84 TLR7 (0.40) HPGDSMN1; SMN2PDE10AGAAHTT
SCHEMBL5617978 0.84 TLR7 (0.43) HPGDSMN1; SMN2PDE10AGAAHTT
SCHEMBL5617243 0.84 LMNA (0.43) HPGDSMN1; SMN2GAAHTTLMNA
SCHEMBL12888448 0.83 HPGD (0.42) HPGDSMN1; SMN2PDE10ALMNAMAPT
SCHEMBL4322691 0.82 ENPP2 (0.38) HPGDSMN1; SMN2PDE10AGAAHTT

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 HPGD 27/4885SMN1; SMN2 3106/4885PDE10A 3669/4885

“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.