Sugi Predict

Sugi Predict / Compounds / SCHEMBL4756426

SCHEMBL4756426

SCHEMBL4756426

CCOCc1nc2cnc3ccccc3c2n1NCCCNC(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 7/20 0.41
▸ HSD17B10 Q99714 1/20 0.39
▸ ALPL P05186 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TLR8 Q9NR97 7/20 0.38
▸ NUDT1 P36639 1/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ ALPI P09923 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ ALPG P10696 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ MEN1 O00255 2/20 0.37
▸ PPARG P37231 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ NR2E3 Q9Y5X4 1/20 0.37
▸ NCOR2 Q9Y618 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ TOP2A P11388 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
SCHEMBL1950513 0.86 TLR7 (0.45) TLR7HSD17B10ALPLSMN1; SMN2TLR8
SCHEMBL4754553 0.86 HSD17B10 (0.47) TLR7HSD17B10SMN1; SMN2TLR8NUDT1
SCHEMBL9940820 0.85 TLR7 (0.45) TLR7ALPLSMN1; SMN2TLR8NUDT1
SCHEMBL4824313 0.85 TLR7 (0.40) TLR7HSD17B10TLR8NUDT1KMT2A
SCHEMBL5420489 0.84 TLR7 (0.56) TLR7TLR8NUDT1
SCHEMBL5809927 0.83 TLR7 (0.39) TLR7HSD17B10SMN1; SMN2TLR8NUDT1
SCHEMBL4759007 0.81 TLR7 (0.35) TLR7HSD17B10ALPLSMN1; SMN2TLR8
SCHEMBL4759011 0.81 TLR7 (0.35) TLR7HSD17B10ALPLSMN1; SMN2TLR8
SCHEMBL4754705 0.81 TLR7 (0.38) TLR7HSD17B10TLR8NUDT1KMT2A
SCHEMBL4817670 0.81 TLR7 (0.41) TLR7HSD17B10SMN1; SMN2TLR8NUDT1

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 TLR7 146/4885HSD17B10 4061/4885ALPL 3120/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 TLR7 146/4885HSD17B10 4061/4885ALPL 3120/4885

“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.