SCHEMBL1775498

SCHEMBL1775498

CC(C)[C@H]1COCc2nc3cnc4ccccc4c3n21

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK1 P23458 9/20 0.35
LRRK2 Q5S007 4/20 0.34
JAK2 O60674 6/20 0.33
JAK3 P52333 2/20 0.33
TYK2 P29597 1/20 0.33
GRM5 P41594 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GPR3 P46089 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
NPC1 O15118 1/20 0.31
MAPT P10636 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL10237183 0.79 TLR7 (0.45) TLR7
SCHEMBL1774978 0.79 TLR7 (0.34) JAK1LRRK2JAK2JAK3TYK2
SCHEMBL1774744 0.79 TLR7 (0.45) TLR7
SCHEMBL1776659 0.79 LRRK2 (0.35) JAK1LRRK2JAK2JAK3GRM5
SCHEMBL1774365 0.79 TLR7 (0.32) JAK1LRRK2JAK2JAK3KDM4E
SCHEMBL1774432 0.79 ABL1 (0.37) JAK1JAK2JAK3GRM5KDM4E
SCHEMBL11898080 0.77 JAK1 (0.38) JAK1LRRK2JAK2JAK3KDM4E
SCHEMBL1773814 0.77 JAK1 (0.38) JAK1LRRK2JAK2JAK3KDM4E
SCHEMBL2514657 0.76 HSD17B10 (0.33) JAK1LRRK2JAK2JAK3TYK2
SCHEMBL1773509 0.75 OPRM1 (0.31) GRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8546383-B2 Chiral fused [1,2]imidazo[4,5-c] ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-10-01 US disclosed
US-20120232057-A1 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY 2012-09-13 US disclosed
EP-1831226-B1 CHIRAL TETRACYCLIC COMPOUNDS INDUCING INTERFERON BIOSYNTHESIS 3M INNOVATIVE PROPERTIES CO (US) 2012-08-08 EP disclosed
US-8207162-B2 Chiral fused [1,2]imidazo[4,5-c] ring compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-06-26 US disclosed
US-20110207725-A1 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY 2011-08-25 US disclosed
US-7943609-B2 Such as (tetrahydr)imidazo(4,5-c ) quinoline or naphthymidine; immunomoderators; induce cytokine biosynthesis in animals; anticancer agents; viricides 3M INNOVATIVE PROPRERTIES COMPANY (US) 2011-05-17 US disclosed
US-20080269192-A1 Chiral Fused [1,2]Imidazo[4,5-C] Ring Compounds COLEY PHARMACEUTICAL GROUP, INC. (US) 2008-10-30 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 (3 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-20080269192-A1 Chiral Fused [1,2]Imidazo[4,5-C] Ring Compounds IFNAR1, IFNG, IL4 JAK1 230/4885LRRK2 3620/4885JAK2 370/4885
US-20120232057-A1 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS IFNAR1, IFNG, IL4 JAK1 226/4885LRRK2 3667/4885JAK2 375/4885
US-20110207725-A1 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS IFNAR1, IFNG, IL4 JAK1 230/4885LRRK2 3620/4885JAK2 370/4885

“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.