SCHEMBL4527451

SCHEMBL4527451

CCc1nc2cnc3cc(/C=C/N4C(=O)c5ccccc5C4=O)ccc3c2n1CC(C)(C)O

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.39
HDAC1 Q13547 5/20 0.38
HDAC8 Q9BY41 5/20 0.38
HDAC6 Q9UBN7 5/20 0.38
HDAC11 Q96DB2 4/20 0.38
HDAC2 Q92769 3/20 0.38
APP P05067 1/20 0.38
TLR8 Q9NR97 4/20 0.34
PIK3CA P42336 1/20 0.34
BRD4 O60885 1/20 0.34
NUDT1 P36639 1/20 0.34

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
SCHEMBL4527454 1.00 TLR7 (0.39) TLR7HDAC1HDAC8HDAC6HDAC11
SCHEMBL4537564 0.80 TLR7 (0.39) TLR7HDAC1HDAC8HDAC6HDAC11
SCHEMBL4539872 0.79 TLR7 (0.42) TLR7HDAC1HDAC8HDAC6HDAC11
SCHEMBL4539875 0.79 TLR7 (0.42) TLR7HDAC1HDAC8HDAC6HDAC11
SCHEMBL1895853 0.76 TLR7 (0.53) TLR7TLR8PIK3CANUDT1
SCHEMBL3862141 0.75 TLR7 (0.45) TLR7TLR8NUDT1
SCHEMBL4519462 0.69 TLR7 (0.42) TLR7HDAC1HDAC8HDAC6HDAC11
SCHEMBL1897263 0.68 TLR7 (0.58) TLR7TLR8NUDT1
SCHEMBL6719547 0.68 TLR7 (0.51) TLR7TLR8PIK3CANUDT1
SCHEMBL3863839 0.67 TLR7 (0.46) TLR7TLR8BRD4NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8658666-B2 Substituted imidazoquinolines and imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2014-02-25 US disclosed
US-20090099161-A1 Substituted Imidazoquinolines and Imidazonaphthyridines COLEY PHARMACEUTIAL GROUP, INC. (NY) 2009-04-16 US disclosed
EP-1845988-A2 SUBSTITUTED IMIDAZOQUINOLINES AND IMIDAZONAPHTHYRIDINES 3M Innovative Properties Company (US) 2007-10-24 EP disclosed
WO-2006091394-A2 SUBSTITUTED IMIDAZOQUINOLINES AND IMIDAZONAPHTHYRIDINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2006-08-31 WO 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-20090099161-A1 Substituted Imidazoquinolines and Imidazonaphthyridines IL2, EIF2AK2, IFNG TLR7 35/4885HDAC1 562/4885HDAC8 270/4885

“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.