SCHEMBL5350377

SCHEMBL5350377

CC(C)(C)OC(=O)NCCCn1cnc2c(N)nc3ccccc3c21

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 11/20 0.57
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
HRH2 P25021 1/20 0.51
ADRA1D P25100 1/20 0.51
HTR2A P28223 1/20 0.51
ADORA2A P29274 1/20 0.51
ADRA1A P35348 1/20 0.51
NUDT1 P36639 1/20 0.51
HTR2B P41595 1/20 0.51
PDE4D Q08499 1/20 0.51
KCNH2 Q12809 1/20 0.51
TLR8 Q9NR97 1/20 0.49
PDPK1 O15530 1/20 0.42
CCNB2 O95067 1/20 0.42
PRKCB P05771 1/20 0.42
CDK1 P06493 1/20 0.42
LYN P07948 1/20 0.42
CCNB1 P14635 1/20 0.42
CCNA2 P20248 1/20 0.42

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
SCHEMBL8137411 0.97 TLR7 (0.56) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3862340 0.94 TLR7 (0.59) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL4335984 0.90 TLR7 (0.54) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL18587564 0.89 TLR7 (0.49) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL8125718 0.89 ACACB (0.44) TLR7PDPK1CCNB2PRKCBCDK1
SCHEMBL12640966 0.86 PDPK1 (0.41) TLR7TLR8PDPK1CCNB2PRKCB
SCHEMBL8135319 0.86 TLR7 (0.45) TLR7TLR8PDPK1CCNB2PRKCB
SCHEMBL6862807 0.85 TLR7 (0.58) TLR7LMNAPOLBHRH2ADRA1D
SCHEMBL3357579 0.85 STING1 (0.43) TLR7TLR8PDPK1CCNB2PRKCB
SCHEMBL8135956 0.84 BRD4 (0.46) TLR7CCNA2CDK2CCNA1BRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040167154-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-08-26 US claimed
US-20040019048-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-29 US claimed
US-6573273-B1 Imidazoquinoline and tetrahydroimidazoquinoline compounds that contain urea, thiourea, acylurea, or sulfonylurea functionality at the 1-position are useful as immune response modifiers. The compounds and compositions of the invention can 3M INNOVATIVE PROPERTIES COMPANY 2003-06-03 US claimed
US-20110142874-A1 Compositions, Methods, and Kits for Eliciting an Immune Response ARIZONA BOARD OF REGENTS (US) 2011-06-16 US disclosed
US-7157453-B2 Urea substituted imidazoquinolines 3M INNOVATION PROPERTIES COMPANY (US) 2007-01-02 US disclosed
US-7157453-B2 Urea substituted imidazoquinolines 3M INNOVATION PROPERTIES COMPANY (US) 2007-01-02 US disclosed
US-7157453-B2 Urea substituted imidazoquinolines 3M INNOVATION PROPERTIES COMPANY (US) 2007-01-02 US disclosed
US-20050131009-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2005-06-16 US disclosed
US-6897221-B2 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-05-24 US disclosed
US-6784188-B2 ADMINISTERING TO A MAMMAL 1H-IMIDAZO(4,5-C)QUINOLINE RING CONTAINING COMPOUND FOR THE TREATMENT OF DISEASES, INCLUDING VIRAL AND NEOPLSATIC DISEASES 3M INNOVATIVE PROPERTIES COMPANY 2004-08-31 US disclosed
US-20040167154-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-08-26 US disclosed
US-20040019048-A1 Urea substituted imidazoquinolines 3M INNOVATIVE PROPERTIES COMPANY 2004-01-29 US disclosed
US-6573273-B1 Imidazoquinoline and tetrahydroimidazoquinoline compounds that contain urea, thiourea, acylurea, or sulfonylurea functionality at the 1-position are useful as immune response modifiers. The compounds and compositions of the invention can 3M INNOVATIVE PROPERTIES COMPANY 2003-06-03 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 (3 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-20040167154-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 TLR7 35/4885LMNA 4675/4885POLB 3690/4885
US-20040019048-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 TLR7 35/4885LMNA 4675/4885POLB 3690/4885
US-20050131009-A1 Urea substituted imidazoquinolines IFNG, EIF2AK2, IRF3 TLR7 35/4885LMNA 4675/4885POLB 3690/4885

“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.