SCHEMBL3864666

SCHEMBL3864666

CC(CCCCn1cnc2c(N)nc3ccccc3c21)(Oc1ccccc1)C(N)=O

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 20/20 0.55
▸ NUDT1 P36639 2/20 0.49
▸ LMNA P02545 1/20 0.49
▸ POLB P06746 1/20 0.49
▸ HRH2 P25021 1/20 0.49
▸ ADRA1D P25100 1/20 0.49
▸ HTR2A P28223 1/20 0.49
▸ ADORA2A P29274 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ KCNH2 Q12809 1/20 0.49
▸ TLR8 Q9NR97 5/20 0.38

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
SCHEMBL6106909 0.81 TLR7 (0.59) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL3865330 0.80 TLR7 (0.53) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL13937489 0.80 TRPV1 (0.47) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL3869477 0.79 TLR7 (0.49) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL8137411 0.79 TLR7 (0.56) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL5747792 0.78 TLR7 (0.50) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL14592749 0.78 TLR7 (0.58) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL5345131 0.78 TLR7 (0.50) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL13937462 0.77 TLR7 (0.56) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL13937438 0.77 TLR7 (0.57) TLR7NUDT1LMNAPOLBHRH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187613-B9 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-10-25 — — EP claimed
EP-1187613-B1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-09 — — EP claimed
US-6451810-B1 AID IN CYTOKINE BIOSYNTHESIS 3M INNOVATIVE PROPERTIES COMPANY 2002-09-17 — — US claimed
US-20090023722-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 — — US disclosed
US-7393859-B2 Amide substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-07-01 — — US disclosed
EP-1187613-B9 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-10-25 — — EP disclosed
EP-1187613-B1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-09 — — EP disclosed
US-20040229897-A1 Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-11-18 — — US disclosed
US-6756382-B2 SECONDARY AMIDES SUCH AS N-(4-(4-AMINO-2-(2-METHOXYETHYL)-1H-IMIDAZO(4,5-C)QUINOLIN-1-YL)BUTYL)-1 -METHYL-5-OXO-2-PYRIDIN-3-YLPYRROLIDINE-3-CARBOXAMIDE; BIOSYNTHESIS OF CYTOKINES; PROPYLAXIS OF VIRAL DISEASES; IMMUNOLOGY MODULATORS 3M INNOVATIVE PROPERTIES COMPANY 2004-06-29 — — US disclosed
US-20030144283-A1 Amide substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-07-31 — — US disclosed
US-6451810-B1 AID IN CYTOKINE BIOSYNTHESIS 3M INNOVATIVE PROPERTIES COMPANY 2002-09-17 — — 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 (3 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-20040229897-A1 Amide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 TLR7 30/4885NUDT1 741/4885LMNA 4424/4885
US-20090023722-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES IFNG, IRF3, EIF2AK2 TLR7 30/4885NUDT1 741/4885LMNA 4424/4885
US-20030144283-A1 Amide substituted imidazoquinolines IFNG, IRF3, EIF2AK2 TLR7 30/4885NUDT1 741/4885LMNA 4424/4885

“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.

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