SCHEMBL5109147

SCHEMBL5109147

Cc1nc2c[n+]([O-])c3ccccc3c2n1CCOCCNC(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BCHE P06276 2/20 0.39
BRD4 O60885 4/20 0.38
IDO1 P14902 1/20 0.38
CNR2 P34972 2/20 0.38
GBA1 P04062 1/20 0.37
PIM1 P11309 1/20 0.37
PIM3 Q86V86 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36

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
SCHEMBL5348805 0.90 CNR2 (0.47) BCHEBRD4IDO1CNR2PIM1
SCHEMBL5106169 0.90 TLR7 (0.40) BCHEIDO1CNR2GBA1PIM1
SCHEMBL8135396 0.89 PIM1 (0.47) BCHEBRD4IDO1CNR2PIM1
SCHEMBL3093082 0.87 GNRHR (0.39) BCHEIDO1CNR2PIM1PIM3
SCHEMBL5113144 0.87 TLR7 (0.48) BCHEIDO1CNR2PIM1PIM3
SCHEMBL4333747 0.87 TLR7 (0.46) CNR2
SCHEMBL4343039 0.84 BCHE (0.40) BCHEIDO1CNR2GBA1
SCHEMBL5106852 0.83 GBA1 (0.43) BCHEBRD4CNR2GBA1
SCHEMBL1948125 0.80 CNR2 (0.39) BCHEIDO1CNR2PIM1PIM3
SCHEMBL5364581 0.80 TLR7 (0.47) BCHEIDO1CNR2PIM1PIM3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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-20050215581-A1 Urea substituted imidazoquinoline ethers 3M INNOVATIVE PROPERTIES COMPANY 2005-09-29 US disclosed
US-20050148620-A1 Sulfonamido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-07-07 US disclosed
US-20050143413-A1 Amido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-06-30 US disclosed
US-20040097542-A1 Sulfonamido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-05-20 US disclosed
US-20040072859-A1 Urea substituted imidazoquinoline ethers 3M INNOVATIVE PROPERTIES COMPANY 2004-04-15 US disclosed
US-20040067975-A1 Amido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-04-08 US disclosed
US-6677347-B2 ANTICARCINOGENIC AND ANTITUMOR AGENTS; VIRICIDED, IMMUNOMODULATORS 3M INNOVATIVE PROPERTIES COMPANY 2004-01-13 US disclosed
US-6664265-B2 Amido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-12-16 US disclosed
US-6660735-B2 Inducing cytokine biosynthesis; viral diseases, neoplastic disorders 3M INNOVATIVE PROPERTIES COMPANY 2003-12-09 US disclosed
US-20030187016-A1 Amido ether substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2003-10-02 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 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-20030187016-A1 Amido ether substituted imidazoquinolines IFNG, IRF3, EIF2AK2 BCHE 4190/4885BRD4 25/4885IDO1 174/4885
US-20080306252-A1 SULFONAMIDO ETHER SUBSTITUTED IMIDAZOQUINOLINES IFNG, IRF3, IL2 BCHE 4547/4885BRD4 51/4885IDO1 194/4885
US-20050148620-A1 Sulfonamido ether substituted imidazoquinolines IFNG, IRF3, IL2 BCHE 4547/4885BRD4 51/4885IDO1 194/4885
US-20040072859-A1 Urea substituted imidazoquinoline ethers IRF3, EIF2AK2, IFNG BCHE 2953/4885BRD4 82/4885IDO1 481/4885
US-20050143413-A1 Amido ether substituted imidazoquinolines IFNG, IRF3, EIF2AK2 BCHE 4190/4885BRD4 25/4885IDO1 174/4885
US-20050215581-A1 Urea substituted imidazoquinoline ethers IRF3, EIF2AK2, IFNG BCHE 2953/4885BRD4 82/4885IDO1 481/4885
US-20040067975-A1 Amido ether substituted imidazoquinolines IFNG, IRF3, EIF2AK2 BCHE 4190/4885BRD4 25/4885IDO1 174/4885
US-20030139441-A1 Sulfonamido ether substituted imidazoquinolines IFNG, IRF3, IL2 BCHE 4547/4885BRD4 51/4885IDO1 194/4885
US-20030130518-A1 Urea substituted imidazoquinoline ethers IRF3, EIF2AK2, IFNG BCHE 2953/4885BRD4 82/4885IDO1 481/4885
US-20040097542-A1 Sulfonamido ether substituted imidazoquinolines IFNG, IRF3, IL2 BCHE 4547/4885BRD4 51/4885IDO1 194/4885

“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.