SCHEMBL1753622

SCHEMBL1753622

Nc1nc2cc(-c3cccnc3)ccc2c2c1nc(CO)n2CCCCNC(=O)C1CCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
TLR7 Q9NYK1 8/20 0.41
TLR8 Q9NR97 4/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
CHRNA7 P36544 1/20 0.38
GSK3B P49841 2/20 0.37
DYRK1A Q13627 2/20 0.37
ABL1 P00519 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
SCHEMBL6106405 0.92 TLR7 (0.46) HDAC3HDAC1HDAC2TLR7TLR8
SCHEMBL1754003 0.90 DYRK1A (0.42) TLR7TLR8CHRNA7DYRK1A
SCHEMBL1753877 0.85 TLR7 (0.47) TLR7TLR8
SCHEMBL1753801 0.85 TLR7 (0.47) TLR7TLR8
SCHEMBL1753878 0.85 TLR7 (0.44) TLR7TLR8
SCHEMBL2744363 0.84 TLR7 (0.54) TLR7TLR8
SCHEMBL1753798 0.83 TLR7 (0.59) TLR7TLR8
SCHEMBL6108501 0.82 TLR7 (0.45) TLR7TLR8DYRK1A
SCHEMBL6107677 0.80 TLR7 (0.46) TLR7TLR8DYRK1A
SCHEMBL3866074 0.80 TLR7 (0.50) TLR7TLR8

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 HDAC3 1900/4885HDAC1 2292/4885HDAC2 1896/4885
US-20090069314-A1 Hydroxyalkyl Substituted Imidazoquinoline Compounds and Methods IFNG, IRF3, IFNAR1 HDAC3 287/4885HDAC1 1189/4885HDAC2 521/4885

“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.