SCHEMBL2243546

SCHEMBL2243546

CC(C)(F)c1cccc2nc(N)c3nc4n(c3c12)CCOC4

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DHFR P00374 1/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
HRH4 Q9H3N8 1/20 0.33
TLR7 Q9NYK1 1/20 0.32
PIK3CD O00329 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
KCNH2 Q12809 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
SCHEMBL12097534 0.83 POLB (0.32) ALDH1A1POLB
SCHEMBL4702114 0.83 ACHE (0.38) DHFRALDH1A1POLBHRH4TLR7
SCHEMBL2241078 0.81 ALDH1A1 (0.35) DHFRALDH1A1POLBTLR7PIK3CA
SCHEMBL4794357 0.80 PIK3CB (0.33) DHFRALDH1A1POLBTLR7
SCHEMBL2513546 0.79 LMNA (0.33) DHFRALDH1A1POLBTLR7
SCHEMBL1775868 0.79 GRM5 (0.36) ALDH1A1HRH4TLR7
SCHEMBL4704199 0.78 KCNA5 (0.36) DHFRALDH1A1POLBHRH4TLR7
SCHEMBL4792173 0.78 TP53 (0.34) DHFRALDH1A1POLBTLR7
SCHEMBL4791809 0.77 POLB (0.39) ALDH1A1POLB
SCHEMBL2248351 0.77 TLR7 (0.35) DHFRALDH1A1TLR7

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 DHFR 160/4885ALDH1A1 1323/4885POLB 2378/4885

“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.