SCHEMBL2514656

SCHEMBL2514656

O=C(O)NC[C@H]1COCc2nc3cnc4ccccc4c3n21

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 3/20 0.35
GRM5 P41594 6/20 0.34
LMNA P02545 4/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 1/20 0.33
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
POLR1A O95602 1/20 0.32
MAPT P10636 2/20 0.32

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
SCHEMBL2511908 0.88 GRM5 (0.35) ABL1GRM5
SCHEMBL1774432 0.84 ABL1 (0.37) ABL1GRM5KDM4EALDH1A1HPGD
SCHEMBL2511885 0.83 TLR7 (0.39)
SCHEMBL2511388 0.81 ABL1 (0.33) ABL1GRM5LMNAKDM4EALDH1A1
SCHEMBL2514925 0.80 GRM5 (0.34) ABL1GRM5LMNAALDH1A1MAPT
SCHEMBL1775336 0.78 GRM5 (0.41) ABL1GRM5KDM4EALDH1A1HPGD
SCHEMBL1775702 0.78 GRM5 (0.39) GRM5KDM4EL3MBTL1
SCHEMBL2513228 0.78 CPB2 (0.40) JAK2JAK1TYK2JAK3
SCHEMBL9979366 0.78 CPB2 (0.40) JAK2JAK1TYK2JAK3
SCHEMBL12020838 0.77 ACACB (0.41) JAK2JAK1TYK2JAK3

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 ABL1 850/4885GRM5 2463/4885LMNA 4409/4885
US-20080085895-A1 Substituted Chiral Fused [1,2]Imidazo[4,5-C] Ring Compounds IFNG, IL4, IFNAR1 ABL1 850/4885GRM5 2463/4885LMNA 4409/4885

“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.