SCHEMBL5118816

SCHEMBL5118816

CC(C)Cn1c(CN2C(=O)c3ccccc3C2=O)nc2c(N)nc3ccccc3c21

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.67
TLR7 Q9NYK1 16/20 0.59
TLR8 Q9NR97 6/20 0.59
LMNA P02545 1/20 0.50
POLB P06746 1/20 0.50
HRH2 P25021 1/20 0.50
ADRA1D P25100 1/20 0.50
HTR2A P28223 1/20 0.50
ADORA2A P29274 1/20 0.50
ADRA1A P35348 1/20 0.50
NUDT1 P36639 1/20 0.50
HTR2B P41595 1/20 0.50
PDE4D Q08499 1/20 0.50
KCNH2 Q12809 1/20 0.50
TSHR P16473 1/20 0.49
PTK2B Q14289 1/20 0.49

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
SCHEMBL5115177 0.87 NPSR1 (0.55) NPSR1TLR7TLR8LMNAPOLB
SCHEMBL1490840 0.85 TLR7 (0.56) NPSR1TLR7TLR8LMNAPOLB
SCHEMBL5470719 0.83 TLR7 (0.65) NPSR1TLR7TLR8NUDT1TSHR
SCHEMBL10589524 0.82 TLR7 (0.84) TLR7TLR8LMNAPOLBHRH2
SCHEMBL5122832 0.82 TLR7 (0.69) TLR7TLR8LMNAPOLBHRH2
SCHEMBL3872728 0.82 TLR7 (0.71) TLR7TLR8LMNAPOLBHRH2
Hydrochloric Acid SCHEMBL5451745 0.81 TLR7 (0.67) TLR7TLR8LMNAPOLBHRH2
SCHEMBL1490612 0.81 TLR7 (0.71) TLR7TLR8LMNAPOLBHRH2
SCHEMBL1490896 0.81 TLR7 (0.67) TLR7TLR8LMNAPOLBHRH2
SCHEMBL6719587 0.81 TLR7 (0.61) TLR7TLR8LMNAPOLBHRH2

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 NPSR1 3420/4885TLR7 55/4885TLR8 93/4885
US-20080015184-A1 Urea Substituted Imidazopyridines, Imidazoquinolines, and Imidazonaphthyridines IL2, EIF2AK2, IL4 NPSR1 4479/4885TLR7 215/4885TLR8 553/4885

“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.