SCHEMBL6286196

SCHEMBL6286196

CCOCc1nc2c(N)ncc(C)c2n1CCCCNC(=O)N(C)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.45
TLR8 Q9NR97 8/20 0.44
DRD2 P14416 1/20 0.40
ADRA1A P35348 1/20 0.40
DRD3 P35462 1/20 0.40
NUDT1 P36639 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
SCHEMBL6285998 0.89 TLR7 (0.40) TLR7TLR8NUDT1
SCHEMBL6775141 0.86 TLR7 (0.51) TLR7TLR8DRD2DRD3NUDT1
SCHEMBL6779814 0.85 FAAH (0.47) TLR7TLR8NUDT1
SCHEMBL6279957 0.85 TLR7 (0.46) TLR7TLR8NUDT1
SCHEMBL6773648 0.85 TLR7 (0.48) TLR7TLR8NUDT1
SCHEMBL6771916 0.83 TLR7 (0.48) TLR7TLR8DRD2DRD3NUDT1
SCHEMBL6773147 0.83 TLR7 (0.45) TLR7TLR8NUDT1
SCHEMBL6777954 0.82 TLR7 (0.41) TLR7TLR8NUDT1
SCHEMBL6779540 0.82 MAPT (0.44) TLR7TLR8NUDT1
SCHEMBL6772297 0.82 TLR7 (0.44) TLR7TLR8NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6903113-B2 Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-07 US disclosed
US-20040157879-A1 Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-08-12 US disclosed
US-6720334-B2 IMMUNE RESPONSE MODIFIERS; CYTOKINE BIOSYNTHESIS; VIRAL AND NEOPLASTIC DISEASES; 1-(4-(4-AMINO-6,7-DIMETHYL-1H-IMIDAZO (4,5-C)PYRIDIN-1-YL)BUTYL)-3-PHENYLUREA. 3M INNOVATIVE PROPERTIES COMPANY 2004-04-13 US disclosed
US-6716988-B2 1-PHENOXY-3-NITRO- OR AMINO-4-AMINOALKYLCARBAMYL DERIVATIVES; IMMUNE RESPONSE MODIFIERS 3M INNOVATIVE PROPERTIES COMPANY 2004-04-06 US disclosed
US-20030195209-A1 Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-10-16 US disclosed
US-20030176458-A1 Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-09-18 US disclosed
US-6545017-B1 Inducing cytokine biosynthesis; treating a viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2003-04-08 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-20030176458-A1 Urea substituted imidazopyridines EIF2AK2, UMPS, IRF3 TLR7 269/4885TLR8 341/4885DRD2 4678/4885
US-20030195209-A1 Urea substituted imidazopyridines EIF2AK2, UMPS, IRF3 TLR7 269/4885TLR8 341/4885DRD2 4678/4885
US-20040157879-A1 Urea substituted imidazopyridines EIF2AK2, UMPS, IRF3 TLR7 269/4885TLR8 341/4885DRD2 4678/4885

“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.