SCHEMBL3929616

SCHEMBL3929616

Cc1nc2c(N)nc3c(c2n1CC(C)(C)O)CCCC3

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.44
TLR8 Q9NR97 6/20 0.35
NUDT1 P36639 2/20 0.35
KDM4E B2RXH2 2/20 0.35
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 1/20 0.34
ACHE P22303 2/20 0.33
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
CYP2C19 P33261 1/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
BPTF Q12830 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
SCHEMBL8114541 0.99 TLR7 (0.43) TLR7TLR8NUDT1KDM4ENOS3
SCHEMBL841881 0.88 TLR7 (0.36) TLR7TLR8NUDT1KDM4ENOS3
SCHEMBL25575011 0.85 TLR7 (0.46) TLR7TLR8NUDT1
SCHEMBL4315485 0.83 TLR7 (0.33) TLR7NUDT1KDM4ENOS3NOS1
SCHEMBL24233531 0.82 TLR7 (0.45) TLR7TLR8NUDT1KDM4EALDH1A1
SCHEMBL6105335 0.82 KDM4E (0.36) TLR7NUDT1KDM4ENOS3NOS1
SCHEMBL7008452 0.81 TLR7 (0.58) TLR7TLR8NUDT1
SCHEMBL1538304 0.80 TLR7 (0.59) TLR7TLR8NUDT1
Water SCHEMBL29421423 0.79 TLR7 (0.58) TLR7TLR8NUDT1
Water SCHEMBL622142 0.79 TLR7 (0.58) TLR7TLR8NUDT1

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1450804-A1 PHARMACEUTICAL FORMULATIONS COMPRISING AN IMMUNE RESPONSE MODIFIER 3M Innovative Properties Company (US) 2004-09-01 EP claimed
US-20030199538-A1 Pharmaceutical formulation comprising an immune response modifier 3M INNOVATIVE PROPERTIES COMPANY 2003-10-23 US claimed
WO-2003045391-A1 PHARMACEUTICAL FORMULATIONS COMPRISING AN IMMUNE RESPONSE MODIFIER 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-05 WO claimed
EP-0708773-B1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING & MFG (US) 2000-10-04 EP claimed
EP-0708773-A1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-01 EP claimed
WO-1995002598-A1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-26 WO claimed
US-5352784-A Viricides; immunomodulators MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-10-04 US claimed
EP-1651190-B1 FORMULATIONS CONTAINING AN IMMUNE RESPONSE MODIFIER 3M INNOVATIVE PROPERTIES CO (US) 2012-09-19 EP disclosed
EP-1450804-B9 PHARMACEUTICAL FORMULATIONS COMPRISING AN IMMUNE RESPONSE MODIFIER 3M INNOVATIVE PROPERTIES CO (US) 2009-04-01 EP disclosed
EP-1450804-B1 PHARMACEUTICAL FORMULATIONS COMPRISING AN IMMUNE RESPONSE MODIFIER 3M INNOVATIVE PROPERTIES CO (US) 2008-08-27 EP disclosed
EP-0912564-B1 PROCESS FOR PREPARING TETRAHYDROIMIDAZOQUINOLINAMINES MINNESOTA MINING & MFG (US) 2003-01-08 EP disclosed
EP-0708773-B1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING & MFG (US) 2000-10-04 EP disclosed
EP-0912564-A1 PROCESS FOR PREPARING TETRAHYDROIMIDAZOQUINOLINAMINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1999-05-06 EP disclosed
US-5693811-A Process for preparing tetrahdroimidazoquinolinamines MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-12-02 US disclosed
US-5648516-A INTERFERON BIOSYNTHESIS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-07-15 US disclosed
US-5627281-A CHEMCAL INTERMEDIATES FOR VIRICIDES BY INDUCING SYNTHESIS OF INTERFERONS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1997-05-06 US disclosed
EP-0708773-A1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1996-05-01 EP disclosed
US-5444065-A Viricides MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-08-22 US disclosed
WO-1995002598-A1 FUSED CYCLOALKYLIMIDAZOPYRIDINES MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-26 WO disclosed
US-5352784-A Viricides; immunomodulators MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-10-04 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 (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-20030199538-A1 Pharmaceutical formulation comprising an immune response modifier ICOS, STAT6, INMT TLR7 35/4885TLR8 40/4885NUDT1 1245/4885

“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.