Sugi Predict

Sugi Predict / Compounds / SCHEMBL4819623

SCHEMBL4819623

SCHEMBL4819623

CCOCc1nc2c[n+]([O-])c3ccccc3c2n1NCc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR8 Q9NR97 5/20 0.35
▸ TLR7 Q9NYK1 7/20 0.35
▸ CYP1A2 P05177 2/20 0.35
▸ CYP3A4 P08684 2/20 0.35
▸ CYP2D6 P10635 2/20 0.35
▸ CYP2C9 P11712 2/20 0.35
▸ CYP2C19 P33261 2/20 0.35
▸ SMN1; SMN2 Q16637 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ NUDT1 P36639 1/20 0.34
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ TSHR P16473 1/20 0.31
▸ ACP1 P24666 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31

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
SCHEMBL5811103 0.86 TLR8 (0.33) TLR8TLR7LMNANUDT1MEN1
SCHEMBL4756388 0.84 PDE4A (0.42) TLR8TLR7CYP1A2CYP3A4CYP2D6
SCHEMBL4804117 0.83 TLR8 (0.34) TLR8TLR7NUDT1MEN1KMT2A
SCHEMBL4759007 0.82 TLR7 (0.35) TLR8TLR7SMN1; SMN2MAPTGAA
SCHEMBL4759011 0.82 TLR7 (0.35) TLR8TLR7SMN1; SMN2MAPTGAA
SCHEMBL4753195 0.79 LMNA (0.35) TLR8TLR7SMN1; SMN2LMNANUDT1
SCHEMBL4817670 0.79 TLR7 (0.41) TLR8TLR7CYP1A2CYP3A4CYP2D6
SCHEMBL6098569 0.78 TLR8 (0.42) TLR8TLR7SMN1; SMN2MAPTLMNA
SCHEMBL15205343 0.75 TLR7 (0.40) TLR8TLR7SMN1; SMN2MAPTGAA
SCHEMBL15205345 0.75 TLR7 (0.40) TLR8TLR7SMN1; SMN2MAPTGAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1605943-A4 1-AMINO 1H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2008-01-16 — — EP disclosed
US-7163947-B2 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-16 — — US disclosed
WO-2006028451-A1 1-AMINO 1-H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 — — WO disclosed
EP-1605943-A2 1-AMINO 1H-IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2005-12-21 — — EP disclosed
US-20050054640-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-03-10 — — US disclosed
WO-2004080398-A2 1-AMINO 1H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-09-23 — — WO disclosed
US-20040176367-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-09 — — US 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 (2 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-20040176367-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 TLR8 507/4885TLR7 146/4885CYP1A2 1687/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 TLR8 507/4885TLR7 146/4885CYP1A2 1687/4885

“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.