SCHEMBL6726461

SCHEMBL6726461

COc1c(N2CCN(C(=O)c3ccc(-c4ccnc(C)c4)cc3)CC2)[nH]c2ccc(Cl)cc12

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.49
TLR8 Q9NR97 7/20 0.49
TLR9 Q9NR96 6/20 0.49
SLC6A7 Q99884 5/20 0.46
SLC6A3 Q01959 1/20 0.46
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
MAPK1 P28482 1/20 0.43
STAT3 P40763 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAP2 P11137 1/20 0.43
HSP90AA1 P07900 1/20 0.42
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL6731135 0.92 TLR9 (0.48) TLR7TLR8TLR9SLC6A7SLC6A3
SCHEMBL6733538 0.89 TLR9 (0.51) TLR7TLR8TLR9SLC6A7SLC6A3
SCHEMBL6737727 0.87 TLR7 (0.48) TLR7TLR8TLR9SLC6A7SLC6A3
SCHEMBL6731903 0.86 TLR8 (0.49) TLR7TLR8TLR9SLC6A7SLC6A3
SCHEMBL6729747 0.84 TLR8 (0.41) TLR7TLR8TLR9MAPTMEN1
SCHEMBL6736204 0.77 TLR8 (0.39) TLR7TLR8TLR9MEN1KMT2A
SCHEMBL6729450 0.75 F10 (0.50) MAPTMEN1KMT2AMAP2ALDH1A1
SCHEMBL6726229 0.73 TLR8 (0.41) TLR7TLR8TLR9MAPTMEN1
SCHEMBL6737185 0.73 F10 (0.68)
SCHEMBL6731390 0.72 F10 (0.49) TLR7TLR8TLR9SLC6A7SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 EP 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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 TLR7 3713/4885TLR8 4146/4885TLR9 4173/4885

“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.