SCHEMBL5129406

SCHEMBL5129406

CC(C)Cn1c(CCCCNC(=O)OC(C)(C)C)nc2cnc3ccccc3c21

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.47
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
POLB P06746 1/20 0.43
BRD4 O60885 2/20 0.41
TLR8 Q9NR97 1/20 0.41
CYP3A4 P08684 1/20 0.40
GBA1 P04062 1/20 0.40

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
SCHEMBL3970752 0.87 TLR7 (0.52) TLR7
SCHEMBL24723244 0.86 TLR7 (0.54) TLR7TLR8
SCHEMBL4551314 0.85 TLR7 (0.54) TLR7
SCHEMBL3968312 0.85 TLR7 (0.49) TLR7TLR8
SCHEMBL6494409 0.85 TLR7 (0.54) TLR7TLR8
SCHEMBL5115208 0.84 TLR7 (0.64) TLR7TLR8
SCHEMBL2743673 0.84 STING1 (0.45) TLR7MEN1KMT2ATLR8
SCHEMBL12888420 0.83 TLR7 (0.48) TLR7TLR8
SCHEMBL2510171 0.83 PIM1 (0.46) TLR7BRD4TLR8GBA1
SCHEMBL5354035 0.83 MAPT (0.51) TLR7MEN1KMT2APOLB

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 4 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
WO-2005123079-A2 UREA SUBSTITUTED IMIDAZOPYRIDINES, IMIDAZOQUINOLINES, AND IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-12-29 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 55/4885MEN1 2899/4885KMT2A 2601/4885
US-20080015184-A1 Urea Substituted Imidazopyridines, Imidazoquinolines, and Imidazonaphthyridines IL2, EIF2AK2, IL4 TLR7 215/4885MEN1 3849/4885KMT2A 2855/4885

“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.