SCHEMBL4334595

SCHEMBL4334595

CCC(COCCC1CCNCC1)n1cnc2c(N)nc3ccccc3c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.42
NUDT1 P36639 2/20 0.42
LMNA P02545 1/20 0.42
POLB P06746 1/20 0.42
HRH2 P25021 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42
ADORA2A P29274 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
PDE4D Q08499 1/20 0.42
KCNH2 Q12809 1/20 0.42
HTR4 Q13639 1/20 0.38
TLR8 Q9NR97 9/20 0.37
CCNE2 O96020 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
CCNA1 P78396 1/20 0.36
AVPR2 P30518 1/20 0.35

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
SCHEMBL13999873 0.85 NPY5R (0.39) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL13999875 0.84 TLR7 (0.40) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL13999884 0.84 ALDH1A1 (0.38) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL4338051 0.83 TLR7 (0.40) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL13613827 0.82 KMT2A (0.38) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL13613813 0.82 TLR7 (0.38) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL13613810 0.82 TLR7 (0.39) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL13999869 0.82 TLR7 (0.37) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL13613812 0.82 FAAH (0.42) TLR7NUDT1LMNAPOLBHRH2
SCHEMBL13999889 0.82 NPY5R (0.37) 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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612083-B2 Urea substituted imidazoquinoline ethers COLEY PHARMACEUTICAL GROUP, INC. (US) 2009-11-03 US disclosed
US-20080306252-A1 SULFONAMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-12-11 US disclosed
US-7214675-B2 Urea substituted imidazoquinoline ethers 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-05-08 US disclosed
EP-1341790-B1 SULFONAMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2007-02-14 EP disclosed
US-7132429-B2 Sulfonamido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-11-07 US disclosed
US-7115622-B2 Amido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-10-03 US disclosed
US-7078523-B2 Urea substituted imidazoquinoline ethers 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-07-18 US disclosed
US-7049439-B2 Immunomodulators for inducing cytokine biosynthesis; viricides; antitumor agents 3M INNOVATIVE PROPERTIES CO. (US) 2006-05-23 US disclosed
EP-1343784-B1 UREA SUBSTITUTED IMIDAZOQUINOLINE ETHERS and pharmaceutical compositions comprising the same. 3M INNOVATIVE PROPERTIES CO (US) 2006-03-08 EP disclosed
US-20050234088-A1 Urea substituted imidazoquinoline ethers 3M INNOVATIVE PROPERTIES COMPANY 2005-10-20 US disclosed
EP-1341792-A2 AMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2003-09-10 EP disclosed
EP-1341790-A2 SULFONAMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2003-09-10 EP disclosed
US-20030158192-A1 Urea substituted imidazoquinoline ethers 3M INNOVATIVE PROPERTIES COMPANY 2003-08-21 US disclosed
US-20030139441-A1 Sulfonamido ether substituted imidazoquinolines UBS AG, STAMFORD BRANCH 2003-07-24 US disclosed
US-20030130518-A1 Urea substituted imidazoquinoline ethers COLEY PHARMACEUTICAL GROUP, INC. 2003-07-10 US disclosed
US-20030096835-A1 Amido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-05-22 US disclosed
US-20020193396-A1 Sulfonamido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2002-12-19 US disclosed
WO-2002046190-A2 SULFONAMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-13 WO disclosed
WO-2002046191-A2 UREA SUBSTITUTED IMIDAZOQUINOLINE ETHERS 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-13 WO disclosed
WO-2002046188-A2 AMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-06-13 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 (7 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-20080306252-A1 SULFONAMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES IFNG, IRF3, IL2 TLR7 24/4885NUDT1 1582/4885LMNA 4649/4885
US-20030158192-A1 Urea substituted imidazoquinoline ethers IRF3, EIF2AK2, IFNG TLR7 84/4885NUDT1 190/4885LMNA 3769/4885
US-20030139441-A1 Sulfonamido ether substituted imidazoquinolines IFNG, IRF3, IL2 TLR7 24/4885NUDT1 1582/4885LMNA 4649/4885
US-20050234088-A1 Urea substituted imidazoquinoline ethers IRF3, EIF2AK2, IFNG TLR7 74/4885NUDT1 201/4885LMNA 3110/4885
US-20030130518-A1 Urea substituted imidazoquinoline ethers IRF3, EIF2AK2, IFNG TLR7 84/4885NUDT1 190/4885LMNA 3769/4885
US-20030096835-A1 Amido ether substituted imidazoquinolines IFNG, IRF3, EIF2AK2 TLR7 14/4885NUDT1 792/4885LMNA 3479/4885
US-20020193396-A1 Sulfonamido ether substituted imidazoquinolines IFNG, IRF3, IL2 TLR7 24/4885NUDT1 1582/4885LMNA 4649/4885

“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.