SCHEMBL2513552

SCHEMBL2513552

CC(C)(C)OC(=O)NCCC[C@H]1CN(S(C)(=O)=O)Cc2nc3cnc4ccccc4c3n21

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.38
CPB2 Q96IY4 1/20 0.38
BCHE P06276 1/20 0.37
ACACB O00763 3/20 0.37
ACACA Q13085 2/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
TYK2 P29597 1/20 0.36
JAK3 P52333 1/20 0.36
BRD4 O60885 3/20 0.36
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OGFRL1 Q5TC84 1/20 0.36
TLR7 Q9NYK1 2/20 0.35
TLR8 Q9NR97 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL2520302 0.88 ADAM17 (0.34) JAK2JAK1TYK2JAK3
SCHEMBL2511954 0.86 TLR7 (0.46) ACACBACACATLR7TLR8
SCHEMBL2513295 0.85 CNR2 (0.36) CPB2BCHEACACBACACABRD4
SCHEMBL9979366 0.83 CPB2 (0.40) GBA1CPB2BCHEACACBACACA
SCHEMBL2513228 0.83 CPB2 (0.40) GBA1CPB2BCHEACACBACACA
SCHEMBL2516363 0.73 ALDH1A1 (0.34)
SCHEMBL1774813 0.73 JAK1 (0.35) GBA1JAK2JAK1TYK2JAK3
SCHEMBL12020838 0.73 ACACB (0.41) BCHEACACBACACAJAK2JAK1
SCHEMBL12201398 0.73 ACACB (0.41) BCHEACACBACACAJAK2JAK1
SCHEMBL5344983 0.71 DYRK1A (0.47) BCHEBRD4TLR7

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 5 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 disclosed
EP-1831221-B1 SUBSTITUTED CHIRAL FUSED 1,2 IMIDAZO 4,5-C RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2012-08-08 EP disclosed
US-20110293654-A1 SUBSTITUTED CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMANY 2011-12-01 US disclosed
US-8034938-B2 Imidazo[4,5-c]quinolines, 6,7,8,9-tetrahydroimidazo[4,5-c]quinolines, imidazo[4,5-c]naphthyridines, and 6,7,8,9-tetrahydroimidazo[4,5-c]naphthyridines) with a CH( R1) group in the fused ring at 1-position of imidazo ring; modulate immune response, by induction of cytokine biosynthesis or other mechanism 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-10-11 US disclosed
US-20080085895-A1 Substituted Chiral Fused [1,2]Imidazo[4,5-C] Ring Compounds 3M INNOVATIVE PROPERTIES COMPANY 2008-04-10 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-20110293654-A1 SUBSTITUTED CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS IFNG, IL4, IFNAR1 GBA1 2259/4885CPB2 4502/4885BCHE 1098/4885
US-20080085895-A1 Substituted Chiral Fused [1,2]Imidazo[4,5-C] Ring Compounds IFNG, IL4, IFNAR1 GBA1 2259/4885CPB2 4502/4885BCHE 1098/4885

“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.