SCHEMBL4874810

SCHEMBL4874810

COC(=O)c1cc2[nH]c(-c3ccc4nc(-c5ccccc5F)ccc4c3)c(C3CCCCC3)c2s1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
MAP4K1 Q92918 1/20 0.32
ABL1 P00519 1/20 0.32
SLC6A3 Q01959 2/20 0.32
BACE1 P56817 2/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
TACR3 P29371 1/20 0.32
SCD O00767 1/20 0.32
MAPT P10636 1/20 0.32
TLR9 Q9NR96 1/20 0.32
TLR8 Q9NR97 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
DHODH Q02127 1/20 0.32
CDK1 P06493 1/20 0.31
MAPKAPK2 P49137 1/20 0.31
S1PR1 P21453 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
SCHEMBL3935580 0.85 BDKRB1 (0.36) BDKRB1MAP4K1SLC6A3BACE1SLC6A2
SCHEMBL3930247 0.84 KCNH2 (0.38) NR1H4TLR9TLR8
SCHEMBL4877262 0.82 MAPK1 (0.33) BDKRB1MAP4K1SLC6A3BACE1SLC6A2
SCHEMBL2987900 0.78 HTR2A (0.39) NR1H4SLC6A3CDK1
SCHEMBL3941890 0.78 ALDH1A1 (0.36) BDKRB1MAP4K1SLC6A3BACE1SLC6A2
SCHEMBL2995078 0.77 HTR2A (0.39) SLC6A3
SCHEMBL2156442 0.76 KDM4E (0.41) NR1H4MAPTTLR9CDK1
SCHEMBL2868300 0.75 KDM4E (0.41) NR1H4MAPTTLR9TLR8CDK1
SCHEMBL3000692 0.75 SLC6A3 (0.40) NR1H4SLC6A3SLC6A2SLC6A4MAPT
SCHEMBL2157791 0.74 KDM4E (0.39) NR1H4MAPTTLR9CDK1

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-20080051384-A1 ANTIVIRAL AGENTS GENELABS TECHNOLOGIES, INC. 2008-02-28 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-20080051384-A1 ANTIVIRAL AGENTS EIF2AK2, MAVS, ZC3HAV1 BDKRB1 3920/4885NR1H4 2044/4885MAP4K1 3443/4885

“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.