SCHEMBL3671090

SCHEMBL3671090

COc1cc(F)c(-c2nc3c(s2)CNCC3)c(F)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 8/20 0.46
CD274 Q9NZQ7 8/20 0.46
TLR9 Q9NR96 2/20 0.40
TLR7 Q9NYK1 2/20 0.40
TLR8 Q9NR97 1/20 0.40
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
HDAC2 Q92769 1/20 0.35
APEX1 P27695 1/20 0.33
ERBB2 P04626 1/20 0.33
EPHA2 P29317 1/20 0.33
KDR P35968 1/20 0.33
EPHB4 P54760 1/20 0.33
OGA O60502 1/20 0.32
GRM8 O00222 1/20 0.32
CYP1A2 P05177 1/20 0.32
GRM7 Q14831 1/20 0.32
CDKN1A P38936 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
SCHEMBL12490052 0.77 PDCD1 (0.51) PDCD1CD274TLR9TLR7TLR8
SCHEMBL3668449 0.77 TLR9 (0.49) PDCD1CD274TLR9TLR7TLR8
SCHEMBL15933628 0.76 CD274 (0.59) PDCD1CD274TLR9TLR7TLR8
SCHEMBL17985041 0.74 TLR9 (0.46) PDCD1CD274TLR9TLR7TLR8
SCHEMBL19549760 0.73 CD274 (0.71) PDCD1CD274TLR9TLR7TLR8
SCHEMBL3669729 0.72 PDCD1 (0.52) PDCD1CD274TLR9TLR7TLR8
SCHEMBL3752249 0.72 GRM5 (0.46) TLR7TLR8OGACYP1A2
SCHEMBL15933624 0.71 PDCD1 (0.56) PDCD1CD274TLR9TLR7TLR8
SCHEMBL19549679 0.71 CD274 (0.62) PDCD1CD274TLR9TLR7TLR8
SCHEMBL19549669 0.70 CD274 (0.77) PDCD1CD274TLR9TLR7TLR8

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-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
EP-2238144-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB Pharma, S.A. (BE) 2010-10-13 EP disclosed
WO-2009092764-A1 COMPOUNDS COMPRISING A CYCLOBUTOXY GROUP UCB PHARMA, S.A. (BE) 2009-07-30 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-20100292188-A1 Compounds Comprising A Cyclobutoxy Group CYP11B2, CYP11B1, CYP4B1 PDCD1 3715/4885CD274 4251/4885TLR9 4728/4885

“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.