SCHEMBL5118893

SCHEMBL5118893

CC(C)Cn1c(CCCCNC(=O)OC(C)(C)C)nc2c[n+]([O-])c3ccccc3c21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 5/20 0.41
IDO1 P14902 2/20 0.40
PIM1 P11309 1/20 0.40
PIM3 Q86V86 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
CNR2 P34972 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
GNRHR P30968 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL25962881 0.88 TLR7 (0.49) TLR7PIM1PIM3CNR2
SCHEMBL5364616 0.87 TLR7 (0.48) TLR7PIM1PIM3CNR2
SCHEMBL1951717 0.86 PIM1 (0.44) TLR7IDO1PIM1PIM3CNR2
SCHEMBL1952878 0.85 CNR2 (0.44) TLR7IDO1PIM1PIM3CNR2
SCHEMBL5365500 0.84 MAPT (0.46) TLR7POLBCNR2NPSR1
SCHEMBL1948125 0.84 CNR2 (0.39) TLR7IDO1PIM1PIM3CNR2
SCHEMBL4333747 0.84 TLR7 (0.46) TLR7CNR2GNRHR
SCHEMBL5129406 0.83 TLR7 (0.47) TLR7MEN1KMT2APOLB
SCHEMBL8135396 0.83 PIM1 (0.47) IDO1PIM1PIM3CNR2
SCHEMBL5348805 0.82 CNR2 (0.47) IDO1PIM1PIM3POLBCNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080015184-A1 Urea Substituted Imidazopyridines, Imidazoquinolines, and Imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-01-17 US disclosed
US-20070259881-A1 Substituted Imidazo Ring Systems and Methods COLEY PHARMACEUTICAL GROUP, INC. 2007-11-08 US disclosed
WO-2006009832-A1 SUBSTITUTED IMIDAZO RING SYSTEMS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-01-26 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-20070259881-A1 Substituted Imidazo Ring Systems and Methods IL2, IL4, IRF3 TLR7 55/4885IDO1 92/4885PIM1 117/4885
US-20080015184-A1 Urea Substituted Imidazopyridines, Imidazoquinolines, and Imidazonaphthyridines IL2, EIF2AK2, IL4 TLR7 215/4885IDO1 115/4885PIM1 221/4885

“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.