SCHEMBL5618682

SCHEMBL5618682

CCCc1nc2cnc3ccccc3c2n1CCCC(C)NOC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 11/20 0.40
TLR8 Q9NR97 1/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
HPGD P15428 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
BRD4 O60885 1/20 0.36
GAA P10253 1/20 0.35
USP2 O75604 1/20 0.35

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
SCHEMBL6053148 0.88 TLR7 (0.43) TLR7TLR8SMN1; SMN2HPGDLMNA
SCHEMBL5618189 0.86 IDO1 (0.42) TLR7TLR8SMN1; SMN2HPGDLMNA
SCHEMBL5617844 0.84 TLR7 (0.45) TLR7TLR8SMN1; SMN2HPGDLMNA
SCHEMBL6053155 0.84 GAA (0.39) TLR7SMN1; SMN2HPGDRXFP1LMNA
SCHEMBL5618745 0.82 TLR7 (0.42) TLR7TLR8SMN1; SMN2HPGDLMNA
SCHEMBL5618843 0.82 TLR7 (0.41) TLR7TLR8SMN1; SMN2HPGDLMNA
SCHEMBL6053167 0.81 TLR7 (0.42) TLR7TLR8SMN1; SMN2HPGDLMNA
SCHEMBL5349914 0.80 TLR7 (0.47) TLR7TLR8SMN1; SMN2HPGDLMNA
SCHEMBL3173290 0.80 TLR7 (0.59) TLR7TLR8SMN1; SMN2HPGDLMNA
SCHEMBL5617819 0.79 TLR7 (0.39) TLR7TLR8SMN1; SMN2HPGDRXFP1

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 TLR7 81/4885TLR8 184/4885SMN1; SMN2 3106/4885

“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.