SCHEMBL4757591

SCHEMBL4757591

CCOCc1nc2cnc3ccccc3c2n1NC(CC)CC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.40
TLR8 Q9NR97 6/20 0.40
NUDT1 P36639 1/20 0.39
PDE10A Q9Y233 2/20 0.36
MEN1 O00255 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.33
RGS12 O14924 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2D6 P10635 1/20 0.33
PKM P14618 1/20 0.33
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MPO P05164 1/20 0.32

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
SCHEMBL4824309 0.90 TLR7 (0.40) TLR7TLR8NUDT1PDE10AMEN1
SCHEMBL4755382 0.83 TLR7 (0.39) TLR7TLR8NUDT1PDE10AMEN1
SCHEMBL4754410 0.83 TLR7 (0.43) TLR7TLR8NUDT1PDE10AMEN1
SCHEMBL4824313 0.83 TLR7 (0.40) TLR7TLR8NUDT1PDE10AMEN1
SCHEMBL4754553 0.82 HSD17B10 (0.47) TLR7TLR8NUDT1MEN1KMT2A
SCHEMBL4754705 0.81 TLR7 (0.38) TLR7TLR8NUDT1PDE10AMEN1
SCHEMBL4817670 0.81 TLR7 (0.41) TLR7TLR8NUDT1MEN1TSHR
SCHEMBL5809927 0.81 TLR7 (0.39) TLR7TLR8NUDT1PDE10AMEN1
SCHEMBL4757131 0.80 TLR7 (0.61) TLR7TLR8NUDT1
SCHEMBL16802296 0.79 PDE10A (0.49) TLR7TLR8NUDT1PDE10AMEN1

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 146/4885TLR8 507/4885NUDT1 728/4885
US-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 TLR7 146/4885TLR8 507/4885NUDT1 728/4885

“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.