SCHEMBL5453997

SCHEMBL5453997

CCc1cccc2nc(N)n(CCCOC)c12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 6/20 0.53
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 6/20 0.43
HPGD P15428 5/20 0.43
GAA P10253 5/20 0.43
CASP1 P29466 4/20 0.43
CASP7 P55210 4/20 0.43
HSD17B10 Q99714 4/20 0.43
GLA P06280 4/20 0.43
ADORA2A P29274 1/20 0.43
MAPT P10636 5/20 0.43
RECQL P46063 3/20 0.43
KMT2A Q03164 3/20 0.43
APAF1 O14727 2/20 0.43
NSD2 O96028 2/20 0.43
THRB P10828 2/20 0.43
BLM P54132 2/20 0.43
ATM Q13315 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
CXCR4 P61073 1/20 0.42

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
SCHEMBL5463793 0.92 TLR8 (0.49) TLR8ALDH1A1KDM4EHPGDGAA
SCHEMBL5465854 0.86 TLR8 (0.66) TLR8CXCR4POLB
SCHEMBL5454116 0.83 POLB (0.58) TLR8CXCR4POLB
SCHEMBL5456433 0.83 PRMT5 (0.56) TLR8ALDH1A1KDM4EHPGDGAA
SCHEMBL5451191 0.80 CYP1A2 (0.56) TLR8ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5454046 0.80 KMT2A (0.51) TLR8ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL5480685 0.77 TLR8 (0.48) TLR8ALDH1A1CXCR4NPSR1LMNA
SCHEMBL5480691 0.77 MTNR1A (0.55) TLR8ALDH1A1GAALMNAPOLB
SCHEMBL5456420 0.76 CXCR4 (0.73) TLR8HPGDMAPTKMT2ACXCR4
SCHEMBL5470484 0.75 PRMT5 (0.60) TLR8KDM4ECXCR4POLB

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-20070232673-A1 2-Imino-benzimidazoles ABBOTT LABORATORIES 2007-10-04 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 (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-20070232673-A1 2-Imino-benzimidazoles CYP2C19, UGT2B7, UGT2B17 TLR8 3837/4885ALDH1A1 39/4885KDM4E 2704/4885

“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.