SCHEMBL1753804

SCHEMBL1753804

CC(C)NC(=O)N1CCC(Cn2c(CO)nc3c(N)nc4cc(-c5cccnc5)ccc4c32)CC1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 11/20 0.40
TLR8 Q9NR97 6/20 0.40
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
DYRK1A Q13627 4/20 0.37
WNT1 P04628 3/20 0.37
LRRK2 Q5S007 1/20 0.37
NLRP3 Q96P20 2/20 0.36
PADI4 Q9UM07 1/20 0.35

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
SCHEMBL1753875 0.90 TLR7 (0.40) TLR7TLR8DYRK1AWNT1NLRP3
SCHEMBL1753625 0.90 TLR7 (0.40) TLR7TLR8DYRK1AWNT1NLRP3
SCHEMBL1754001 0.84 TLR7 (0.40) TLR7TLR8LRRK2NLRP3
SCHEMBL3864353 0.83 TLR7 (0.44) TLR7TLR8NLRP3
SCHEMBL1753995 0.82 TLR7 (0.52) TLR7TLR8HDAC3HDAC1HDAC2
SCHEMBL3873592 0.82 TLR7 (0.49) TLR7TLR8NLRP3
SCHEMBL30345977 0.81 TLR7 (0.48) TLR7TLR8NLRP3
SCHEMBL483395 0.81 TLR7 (0.48) TLR7TLR8NLRP3
SCHEMBL3865822 0.80 TLR7 (0.51) TLR7TLR8
SCHEMBL1753624 0.80 TLR7 (0.40) TLR7TLR8NLRP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8846710-B2 Method of preferentially inducing the biosynthesis of interferon 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-09-30 US disclosed
US-8846710-B2 Method of preferentially inducing the biosynthesis of interferon 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-09-30 US disclosed
US-8158794-B2 Hydroxyalkyl substituted imidazoquinoline compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-04-17 US disclosed
US-8158794-B2 Hydroxyalkyl substituted imidazoquinoline compounds and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-04-17 US disclosed
US-20090069314-A1 Hydroxyalkyl Substituted Imidazoquinoline Compounds and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-12 US disclosed
US-20090069314-A1 Hydroxyalkyl Substituted Imidazoquinoline Compounds and Methods COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-03-12 US disclosed
US-20090030031-A1 Method of Preferentially Inducing the Biosynthesis of Interferon COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-01-29 US disclosed
US-20090030031-A1 Method of Preferentially Inducing the Biosynthesis of Interferon COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-01-29 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-20090030031-A1 Method of Preferentially Inducing the Biosynthesis of Interferon IFNG, IFNAR1, EIF2AK2 TLR7 194/4885TLR8 494/4885HDAC3 1900/4885
US-20090069314-A1 Hydroxyalkyl Substituted Imidazoquinoline Compounds and Methods IFNG, IRF3, IFNAR1 TLR7 27/4885TLR8 152/4885HDAC3 287/4885

“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.