SCHEMBL1490840

SCHEMBL1490840

CC(C)Cn1c(CON2C(=O)c3ccccc3C2=O)nc2c(N)nc3ccccc3c21

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 17/20 0.56
TLR8 Q9NR97 9/20 0.56
NUDT1 P36639 2/20 0.48
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HRH2 P25021 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR2A P28223 1/20 0.47
ADORA2A P29274 1/20 0.47
ADRA1A P35348 1/20 0.47
HTR2B P41595 1/20 0.47
PDE4D Q08499 1/20 0.47
KCNH2 Q12809 1/20 0.47

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
SCHEMBL1490735 0.89 TLR7 (0.53) TLR7TLR8NUDT1
SCHEMBL1490765 0.87 TLR7 (0.42) TLR7TLR8NUDT1NPSR1LMNA
SCHEMBL5118816 0.85 NPSR1 (0.67) TLR7TLR8NUDT1NPSR1LMNA
SCHEMBL1490633 0.84 TLR7 (0.69) TLR7TLR8NUDT1
SCHEMBL6723566 0.83 TLR7 (0.65) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL1490402 0.83 TLR7 (0.65) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL1490939 0.82 TLR7 (0.44) TLR7TLR8NUDT1NPSR1LMNA
Hydrochloric Acid SCHEMBL4519914 0.82 TLR7 (0.64) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL6024967 0.81 TLR7 (0.63) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL893024 0.81 TLR7 (0.74) TLR7TLR8NUDT1LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8598192-B2 Hydroxylamine substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-12-03 US disclosed
US-7897767-B2 Oxime substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed
EP-1682544-A4 HYDROXYLAMINE SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2009-05-06 EP disclosed
US-20090105295-A1 HYDROXYLAMINE SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-04-23 US disclosed
US-20090042925-A1 OXIME SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. 2009-02-12 US disclosed
EP-1685129-A4 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2008-10-22 EP disclosed
EP-1685129-A2 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M Innovative Properties Company (US) 2006-08-02 EP disclosed
EP-1682544-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO RING COMPOUNDS 3M Innovative Properties Company (US) 2006-07-26 EP disclosed
WO-2005048945-A2 HYDROXYLAMINE SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-02 WO disclosed
WO-2005048933-A2 OXIME SUBSTITUTED IMIDAZO RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-02 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-20090105295-A1 HYDROXYLAMINE SUBSTITUTED IMIDAZOQUINOLINES IL2, IL4, IFNG TLR7 54/4885TLR8 140/4885NUDT1 143/4885
US-20090042925-A1 OXIME SUBSTITUTED IMIDAZOQUINOLINES IFNG, IL2, IRF3 TLR7 33/4885TLR8 88/4885NUDT1 997/4885

“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.