SCHEMBL2248351

SCHEMBL2248351

Nc1nc2cccc(C3CCOCC3)c2c2c1nc1n2CCOC1

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.35
DHFR P00374 4/20 0.34
DCPS Q96C86 2/20 0.34
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
RAB9A P51151 1/20 0.32
TLR8 Q9NR97 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PDE8A O60658 1/20 0.32
NCF1 P14598 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
SCHEMBL4700034 0.93 NPC1 (0.36) TLR7DHFRDCPSNPC1USP2
SCHEMBL4702114 0.81 ACHE (0.38) TLR7DHFRTP53ALDH1A1
SCHEMBL2513546 0.79 LMNA (0.33) TLR7DHFRDCPSNPC1TP53
SCHEMBL2241078 0.78 ALDH1A1 (0.35) TLR7DHFRNPC1TP53RAB9A
SCHEMBL4792173 0.78 TP53 (0.34) TLR7DHFRDCPSNPC1TP53
SCHEMBL4704199 0.78 KCNA5 (0.36) TLR7DHFRNPC1TP53RAB9A
SCHEMBL2243546 0.77 DHFR (0.33) TLR7DHFRALDH1A1
SCHEMBL4792910 0.76 TLR8 (0.37) TLR7DHFRDCPSTP53TLR8
SCHEMBL1775006 0.76 MAPT (0.36) TLR7DHFRNPC1TP53RAB9A
SCHEMBL4794357 0.76 PIK3CB (0.33) TLR7DHFRDCPSNPC1TP53

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 1 patent. 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

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 TLR7 124/4885DHFR 160/4885DCPS 3088/4885

“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.