SCHEMBL6286152

SCHEMBL6286152

CCOCc1nc2c(N)nc(C)cc2n1CCCCNC(=O)N[C@@H]1C[C@H]1c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 2/20 0.37
EPHX2 P34913 2/20 0.37
TLR8 Q9NR97 2/20 0.37
TLR2 O60603 15/20 0.36
TLR1 Q15399 15/20 0.36

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
SCHEMBL6283987 0.85 TLR7 (0.42) TLR7EPHX2TLR8TLR2TLR1
SCHEMBL6287386 0.85 TLR7 (0.40) TLR7TLR8TLR2TLR1
SCHEMBL6782472 0.84 FAAH (0.47) TLR7TLR8
SCHEMBL6779395 0.82 TLR7 (0.46) TLR7TLR8
SCHEMBL6773388 0.82 TLR7 (0.37) TLR7TLR8
SCHEMBL6782361 0.81 PTGER4 (0.42) TLR7TLR8
SCHEMBL6772921 0.81 TLR7 (0.44) TLR7TLR8
SCHEMBL6094697 0.80 TLR7 (0.42) TLR7TLR8
SCHEMBL6096076 0.80 TLR7 (0.45) TLR7TLR8
SCHEMBL6772056 0.80 KDM4E (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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-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 (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-20030176458-A1 Urea substituted imidazopyridines EIF2AK2, UMPS, IRF3 TLR7 269/4885EPHX2 3159/4885TLR8 341/4885
US-20040157879-A1 Urea substituted imidazopyridines EIF2AK2, UMPS, IRF3 TLR7 269/4885EPHX2 3159/4885TLR8 341/4885

“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.