SCHEMBL5409950

SCHEMBL5409950

CCOCc1nc2c(N)nc3c(c2n1NCCCNC(=O)C(C)C)CCCC3

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 1/20 0.35
TSHR P16473 1/20 0.35
KMT2A Q03164 1/20 0.35
TLR7 Q9NYK1 7/20 0.34
ACHE P22303 3/20 0.33
TLR8 Q9NR97 5/20 0.32
GAA P10253 3/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
CASP1 P29466 2/20 0.31
CASP7 P55210 2/20 0.31
HSD17B10 Q99714 2/20 0.31
MAPK10 P53779 1/20 0.31
NUDT1 P36639 1/20 0.31
CYP1A2 P05177 1/20 0.31
BCHE P06276 1/20 0.30

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
SCHEMBL5410638 0.91 TLR7 (0.33) MEN1TSHRKMT2ATLR7ACHE
SCHEMBL5413387 0.91 TLR7 (0.41) TLR7ACHETLR8GAAKDM4E
SCHEMBL5404740 0.89 TLR7 (0.34) TLR7ACHETLR8GAAKDM4E
SCHEMBL5407145 0.85 HTT (0.44) MEN1TSHRKMT2ATLR7GAA
SCHEMBL5420976 0.81 ACHE (0.35) MEN1TSHRKMT2ATLR7ACHE
SCHEMBL4753517 0.81 TLR7 (0.37) NPSR1MEN1TSHRKMT2ATLR7
SCHEMBL29374514 0.81 TLR7 (0.37) NPSR1MEN1TSHRKMT2ATLR7
SCHEMBL5410858 0.79 TLR7 (0.53) TLR7TLR8NUDT1
SCHEMBL4302557 0.75 TLR7 (0.34) TSHRTLR7TLR8NUDT1
SCHEMBL3162683 0.72 TLR8 (0.40) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006028451-A1 1-AMINO 1-H-IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-03-16 WO claimed
US-7163947-B2 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-16 US disclosed
US-7163947-B2 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-01-16 US 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
US-20050054640-A1 1-Amino 1H-imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-03-10 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-20050054640-A1 1-Amino 1H-imidazoquinolines IL2, IFNG, IL4I1 NPSR1 3391/4885MEN1 2757/4885TSHR 3778/4885

“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.