SCHEMBL5747423

SCHEMBL5747423

Nc1nc2ccccc2c2c1ncn2CCCCNC(=O)c1ccc(CNCc2ccncc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.49
TLR8 Q9NR97 6/20 0.46
ALDH1A1 P00352 1/20 0.46
MAPK14 Q16539 2/20 0.43
MAPK10 P53779 1/20 0.43
LMNA P02545 2/20 0.43
POLB P06746 1/20 0.43
HRH2 P25021 1/20 0.43
ADRA1D P25100 1/20 0.43
HTR2A P28223 1/20 0.43
ADORA2A P29274 1/20 0.43
ADRA1A P35348 1/20 0.43
NUDT1 P36639 1/20 0.43
HTR2B P41595 1/20 0.43
PDE4D Q08499 1/20 0.43
KCNH2 Q12809 1/20 0.43
MMP13 P45452 2/20 0.41
NAMPT P43490 1/20 0.40
CYP3A4 P08684 1/20 0.40
HTT P42858 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
SCHEMBL3869481 0.91 TLR7 (0.49) TLR7TLR8ALDH1A1MAPK14MAPK10
SCHEMBL3866208 0.88 TLR7 (0.56) TLR7TLR8LMNAPOLBHRH2
SCHEMBL3862412 0.88 TLR7 (0.53) TLR7TLR8ALDH1A1MAPK14MAPK10
SCHEMBL3866002 0.87 TLR7 (0.53) TLR7TLR8ALDH1A1MAPK14MAPK10
SCHEMBL5748391 0.87 TLR7 (0.53) TLR7TLR8ALDH1A1MAPK14MAPK10
SCHEMBL3863900 0.87 TLR7 (0.53) TLR7TLR8ALDH1A1MAPK14MAPK10
SCHEMBL3863870 0.86 TLR7 (0.51) TLR7TLR8MAPK14MAPK10LMNA
SCHEMBL3867251 0.86 TLR7 (0.51) TLR7TLR8ALDH1A1MAPK14MAPK10
Hydrochloric Acid SCHEMBL3863251 0.86 TLR7 (0.52) TLR7TLR8MAPK14MAPK10LMNA
Hydrochloric Acid SCHEMBL3867142 0.86 TLR7 (0.51) TLR7TLR8ALDH1A1MAPK14MAPK10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1187613-B9 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-10-25 EP claimed
EP-1187613-B1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2006-08-09 EP claimed
US-6451810-B1 AID IN CYTOKINE BIOSYNTHESIS 3M INNOVATIVE PROPERTIES COMPANY 2002-09-17 US claimed
EP-1187613-A4 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES CO (US) 2002-07-24 EP claimed
EP-1187613-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M Innovative Properties Company (US) 2002-03-20 EP claimed
WO-2000076505-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2000-12-21 WO claimed
US-20090023722-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
US-20090023722-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES 3M INNOVATIVE PROPERTIES COMPANY 2009-01-22 US disclosed
US-7393859-B2 Amide substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-07-01 US disclosed
US-7393859-B2 Amide substituted imidazoquinolines COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-07-01 US disclosed
US-20060009482-A1 Screening method for identifying compounds that selectively induce interferon alpha 3M INNOVATIVE PROPERTIES COMPANY 2006-01-12 US disclosed
US-20020110840-A1 Screening method for identifying compounds that selectively induce interferon alpha 3M INNOVATIVE PROPERTIES COMPANY 2002-08-15 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 (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-20090023722-A1 AMIDE SUBSTITUTED IMIDAZOQUINOLINES IFNG, IRF3, EIF2AK2 TLR7 30/4885TLR8 72/4885ALDH1A1 2147/4885
US-20060009482-A1 Screening method for identifying compounds that selectively induce interferon alpha IFNG, EIF2AK2, IFNAR1 TLR7 120/4885TLR8 359/4885ALDH1A1 2922/4885

“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.