SCHEMBL2244245

SCHEMBL2244245

Nc1nc2cccc(COCc3ccc(F)cc3)c2c2c1nc1n2CCOC1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DCPS Q96C86 6/20 0.34
DHFR P00374 5/20 0.33
GRM5 P41594 1/20 0.33
KDM4E B2RXH2 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TLR7 Q9NYK1 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL1776124 0.92 GRM5 (0.36) DCPSDHFRGRM5KDM4EL3MBTL1
SCHEMBL1775324 0.84 GRM5 (0.36) GRM5KDM4EL3MBTL1
SCHEMBL2513546 0.81 LMNA (0.33) DCPSDHFRGRM5KDM4ETLR7
SCHEMBL4792173 0.80 TP53 (0.34) DCPSDHFRGRM5KDM4ETLR7
SCHEMBL1775006 0.80 MAPT (0.36) DHFRGRM5KDM4ETLR7
SCHEMBL4707903 0.79 TLR7 (0.37) DHFRKDM4ETLR7
SCHEMBL4794357 0.78 PIK3CB (0.33) DCPSDHFRGRM5TLR7
SCHEMBL4792910 0.78 TLR8 (0.37) DCPSDHFRGRM5TLR7
SCHEMBL4705375 0.78 GRM5 (0.33) GRM5KDM4EL3MBTL1
SCHEMBL4791809 0.77 POLB (0.39) DCPSGRM5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110207725-A1 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY 2011-08-25 US claimed
EP-1831226-A4 CHIRAL FUSED 1,2 IMIDAZO 4,5-c RING COMPOUNDS 3M INNOVATIVE PROPERTIES CO (US) 2008-11-05 EP disclosed
EP-1831226-A2 CHIRAL FUSED 1,2 IMIDAZO 4,5-c RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-09-12 EP disclosed
WO-2006074003-A2 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-07-13 WO 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 (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-20110207725-A1 CHIRAL FUSED [1,2]IMIDAZO[4,5-c] RING COMPOUNDS IFNAR1, IFNG, IL4 DCPS 3088/4885DHFR 160/4885GRM5 2061/4885

“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.