SCHEMBL4756005

SCHEMBL4756005

CCOCc1nc2cnc3ccccc3c2n1N

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 6/20 0.46
TLR8 Q9NR97 5/20 0.46
NUDT1 P36639 1/20 0.45
NPC1 O15118 3/20 0.44
RAB9A P51151 4/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 5/20 0.40
MAPT P10636 2/20 0.40
KMT2A Q03164 2/20 0.40
GLA P06280 1/20 0.40
GAA P10253 2/20 0.40
PDE10A Q9Y233 1/20 0.38
ATM Q13315 1/20 0.38
NCF1 P14598 1/20 0.38
TSHR P16473 2/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.37

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
SCHEMBL16802296 0.85 PDE10A (0.49) TLR7TLR8NUDT1NPC1RAB9A
SCHEMBL4135751 0.84 TLR7 (0.45) TLR7TLR8NUDT1NPC1RAB9A
SCHEMBL18179115 0.84 TLR7 (0.49) TLR7TLR8NUDT1NPC1RAB9A
SCHEMBL4755797 0.82 SMN1; SMN2 (0.49) TLR7NPC1SMN1; SMN2MAPTKMT2A
SCHEMBL4758070 0.82 TLR7 (0.42) TLR7TLR8NUDT1NPC1RAB9A
SCHEMBL4298976 0.82 TLR7 (0.38) TLR7TLR8NUDT1NPC1RAB9A
SCHEMBL4753495 0.82 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL5462151 0.82 PKM (0.46) TLR7TLR8NUDT1NPC1RAB9A
SCHEMBL6099996 0.81 TLR8 (0.49) TLR7TLR8NUDT1RAB9ASMN1; SMN2
SCHEMBL4130348 0.81 TLR7 (0.57) TLR7TLR8NUDT1RAB9ASMN1; SMN2

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.