SCHEMBL9979417

SCHEMBL9979417

Cn1cnc(S(=O)(=O)NCCC[C@H]2COCc3nc4c(N)nc5ccccc5c4n32)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.40
LMNA P02545 1/20 0.39
GAA P10253 2/20 0.37
ALDH1A1 P00352 1/20 0.37
NPY5R Q15761 1/20 0.37
TLR8 Q9NR97 1/20 0.36
SLC6A9 P48067 3/20 0.35
KMT2A Q03164 3/20 0.34
PIK3CG P48736 1/20 0.34
KCNH2 Q12809 1/20 0.33

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
SCHEMBL9979236 0.86 TLR7 (0.41) TLR7LMNAALDH1A1NPY5RTLR8
SCHEMBL2512664 0.85 TLR7 (0.52) TLR7TLR8
SCHEMBL11917592 0.85 TLR7 (0.52) TLR7TLR8
SCHEMBL9979421 0.83 ALDH1A1 (0.33) LMNAGAAALDH1A1NPY5RSLC6A9
SCHEMBL9979167 0.83 TLR7 (0.42) TLR7TLR8
SCHEMBL9979161 0.79 TLR7 (0.44) TLR7TLR8
SCHEMBL2513263 0.79 TLR7 (0.39) TLR7TLR8
SCHEMBL11917349 0.77 TLR7 (0.37) TLR7ALDH1A1TLR8KMT2A
SCHEMBL2515287 0.77 TLR7 (0.37) TLR7ALDH1A1TLR8KMT2A
SCHEMBL2514666 0.77 TLR7 (0.42) TLR7TLR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8350034-B2 Substituted chiral fused [1,2]imidazo[4,5-C] ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-01-08 US claimed
US-20110293654-A1 SUBSTITUTED CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMANY 2011-12-01 US claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-20110293654-A1 SUBSTITUTED CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS IFNG, IL4, IFNAR1 TLR7 171/4885LMNA 4409/4885GAA 3201/4885

“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.