SCHEMBL6098569

SCHEMBL6098569

CCOCc1nc2c[n+]([O-])c3ccccc3c2n1CCCCCCCCCCn1c(COCC)nc2c[n+]([O-])c3ccccc3c21

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 5/20 0.42
TLR7 Q9NYK1 6/20 0.40
NUDT1 P36639 1/20 0.39
GRIN1 Q05586 9/20 0.37
GRIN2A Q12879 9/20 0.37
GRIN2B Q13224 9/20 0.37
MAOA P21397 7/20 0.37
MAOB P27338 7/20 0.37
ACHE P22303 2/20 0.36
MEN1 O00255 1/20 0.36
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 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
SCHEMBL8126438 0.89 TSHR (0.42) TLR8MEN1TSHRKMT2ASMN1; SMN2
SCHEMBL19475891 0.87 CTNNB1 (0.41) TLR8TLR7NUDT1TSHRKMT2A
SCHEMBL15205345 0.87 TLR7 (0.40) TLR8TLR7NUDT1TSHRRAB9A
SCHEMBL3666095 0.87 TLR8 (0.41) TLR8TLR7NUDT1RAB9AKDM4E
SCHEMBL15205343 0.87 TLR7 (0.40) TLR8TLR7NUDT1TSHRRAB9A
SCHEMBL5616314 0.86 TLR8 (0.38) TLR8TLR7NUDT1MEN1TSHR
SCHEMBL29385735 0.85 TLR7 (0.57) TLR8TLR7NUDT1MEN1TSHR
SCHEMBL4532094 0.85 TLR7 (0.57) TLR8TLR7NUDT1MEN1TSHR
SCHEMBL5618202 0.84 TLR8 (0.39) TLR8TLR7NUDT1MEN1TSHR
SCHEMBL31580844 0.83 TLR8 (0.39) TLR8TLR7NUDT1MEN1TSHR

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
US-7112677-B2 1H-imidazo dimers 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-09-26 US disclosed
EP-1542688-A2 1H-IMIDAZO DIMERS 3M Innovative Properties Company (US) 2005-06-22 EP disclosed
US-20050026947-A1 1H-imidazo dimers 3M INNOVATIVE PROPERTIES COMPANY 2005-02-03 US disclosed
US-6818650-B2 1H-IMIDAZO(4,5-C)- QUINOLINE OR -PYRIDINE DERIVATIVES; INDUCE BIOSYNTHESIS OF CYTOKINES; VIRAL DISEASES; ANTICARCINOGENIC AND ANTITUMOR AGENTS; IMMUNOMODULATORS 3M INNOVATIVE PROPERTIES COMPANY 2004-11-16 US disclosed
US-20040132766-A1 1H-imidazo dimers 3M INNOVATIVE PROPERTIES COMPANY 2004-07-08 US disclosed
WO-2004028539-A2 1H-IMIDAZO DIMERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-04-08 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 (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-20050026947-A1 1H-imidazo dimers IL2, EIF2AK2, IRF3 TLR8 176/4885TLR7 173/4885NUDT1 1332/4885
US-20040132766-A1 1H-imidazo dimers IL2, EIF2AK2, IRF3 TLR8 176/4885TLR7 173/4885NUDT1 1332/4885

“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.