SCHEMBL5124071

SCHEMBL5124071

CC(C)Cn1c(CN)nc2c(N)nc3c(c21)CCCC3

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 10/20 0.36
TLR8 Q9NR97 3/20 0.35
ACHE P22303 2/20 0.33
KDM4E B2RXH2 4/20 0.32
MEN1 O00255 1/20 0.32
MAPK1 P28482 1/20 0.32
KMT2A Q03164 1/20 0.32
BPTF Q12830 1/20 0.32
HPGD P15428 2/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
ADORA3 P0DMS8 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ADORA1 P30542 1/20 0.31
ALDH1A1 P00352 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL8113805 0.90 TLR7 (0.39) TLR7TLR8ACHEKDM4EMEN1
SCHEMBL8113959 0.90 TLR7 (0.45) TLR7TLR8ACHEKDM4EMEN1
SCHEMBL1490647 0.89 TLR7 (0.38) TLR7TLR8ACHEKDM4EMEN1
Hydrochloric Acid SCHEMBL1490823 0.88 TLR7 (0.38) TLR7TLR8ACHEKDM4EMEN1
SCHEMBL5118920 0.87 TLR7 (0.42) TLR7TLR8
SCHEMBL1490830 0.86 TLR7 (0.41) TLR7TLR8ACHEKDM4EHPGD
SCHEMBL8115012 0.86 TLR7 (0.41) TLR7TLR8ACHEKDM4EMAPK1
SCHEMBL8122097 0.84 KDM4E (0.36) TLR7ACHEKDM4EMEN1MAPK1
SCHEMBL8121124 0.83 KDM4E (0.36) TLR7ACHEKDM4EMEN1MAPK1
SCHEMBL8115033 0.83 TLR7 (0.42) TLR7TLR8KDM4EHPGDADORA2A

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 55/4885TLR8 93/4885ACHE 4333/4885
US-20080015184-A1 Urea Substituted Imidazopyridines, Imidazoquinolines, and Imidazonaphthyridines IL2, EIF2AK2, IL4 TLR7 215/4885TLR8 553/4885ACHE 2948/4885

“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.