SCHEMBL6094643

SCHEMBL6094643

CCOCc1nc2c(N)nc(C)c(C)c2n1CCCNC(C)=O

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.49
TLR8 Q9NR97 12/20 0.40
NUDT1 P36639 1/20 0.39
MTNR1A P48039 2/20 0.36
MTNR1B P49286 2/20 0.36
DYRK1A Q13627 1/20 0.35

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
SCHEMBL6778701 0.90 TLR7 (0.40) TLR7TLR8NUDT1
SCHEMBL6288244 0.89 TLR7 (0.40) TLR7TLR8NUDT1
SCHEMBL6094673 0.89 TLR7 (0.40) TLR7TLR8NUDT1
SCHEMBL6768601 0.88 TLR7 (0.45) TLR7TLR8NUDT1
SCHEMBL6777774 0.87 TLR7 (0.41) TLR7TLR8NUDT1
SCHEMBL6782966 0.87 TLR7 (0.39) TLR7TLR8NUDT1
SCHEMBL6778782 0.87 TLR7 (0.44) TLR7TLR8NUDT1
SCHEMBL6775573 0.87 TLR7 (0.39) TLR7TLR8NUDT1
SCHEMBL1616166 0.86 TLR7 (0.38) TLR7TLR8NUDT1
SCHEMBL5616918 0.86 TLR8 (0.42) 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 31 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040186128-A1 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-23 US claimed
US-20030186949-A1 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-10-02 US claimed
US-20030162806-A1 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-08-28 US claimed
US-6545016-B1 Inducing cytokine biosynthesis; treating a viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2003-04-08 US claimed
US-7098221-B2 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-08-29 US disclosed
US-20050282854-A1 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2005-12-22 US disclosed
US-6969722-B2 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-11-29 US disclosed
US-6903113-B2 Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-07 US disclosed
US-6878719-B2 Sulfonamido substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-04-12 US disclosed
US-20040186128-A1 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2004-09-23 US disclosed
EP-1453829-A1 SULFONAMIDO SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2004-09-08 EP disclosed
EP-1451186-A2 UREA SUBSTITUTED IMIDAZOPYRIDINES 3M Innovative Properties Company (US) 2004-09-01 EP disclosed
US-20030176458-A1 Urea substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-09-18 US disclosed
US-20030162806-A1 Amide substituted imidazopyridines 3M INNOVATIVE PROPERTIES COMPANY 2003-08-28 US disclosed
WO-2003050117-A1 SULFONAMIDO SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO disclosed
WO-2003050118-A1 AMIDE SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO disclosed
WO-2003050119-A2 UREA SUBSTITUTED IMIDAZOPYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2003-06-19 WO disclosed
US-6545017-B1 Inducing cytokine biosynthesis; treating a viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2003-04-08 US disclosed
US-6545016-B1 Inducing cytokine biosynthesis; treating a viral and neoplastic diseases 3M INNOVATIVE PROPERTIES COMPANY 2003-04-08 US disclosed
US-6525064-B1 Immune response modifiers; can induce the biosynthesis of various cytokines; 3M INNOVATIVE PROPERTIES COMPANY 2003-02-25 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 (5 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-20040186128-A1 Amide substituted imidazopyridines IRF3, EIF2AK2, IFNG TLR7 75/4885TLR8 55/4885NUDT1 682/4885
US-20030176458-A1 Urea substituted imidazopyridines EIF2AK2, UMPS, IRF3 TLR7 269/4885TLR8 341/4885NUDT1 30/4885
US-20050282854-A1 Amide substituted imidazopyridines IRF3, EIF2AK2, IFNG TLR7 75/4885TLR8 55/4885NUDT1 682/4885
US-20030162806-A1 Amide substituted imidazopyridines IRF3, EIF2AK2, IFNG TLR7 75/4885TLR8 55/4885NUDT1 682/4885
US-20030186949-A1 Amide substituted imidazopyridines IRF3, EIF2AK2, IFNG TLR7 75/4885TLR8 55/4885NUDT1 682/4885

“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.