SCHEMBL3665189

SCHEMBL3665189

Oc1ccc(-c2nc3c(s2)CNCC3)c(F)c1

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PDCD1 Q15116 8/20 0.48
CD274 Q9NZQ7 8/20 0.48
TLR9 Q9NR96 1/20 0.40
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
HDAC2 Q92769 1/20 0.39
ESR1 P03372 5/20 0.38
ESR2 Q92731 4/20 0.38
USP7 Q93009 1/20 0.37

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
SCHEMBL15933624 0.87 PDCD1 (0.56) PDCD1CD274TLR9TLR8TLR7
SCHEMBL327547 0.78 PDCD1 (0.48) PDCD1CD274TLR9TLR8TLR7
SCHEMBL17985041 0.74 TLR9 (0.46) PDCD1CD274TLR9TLR8TLR7
SCHEMBL3669729 0.72 PDCD1 (0.52) PDCD1CD274TLR9TLR8TLR7
SCHEMBL3156931 0.72 PDCD1 (0.54) PDCD1CD274TLR9TLR8TLR7
SCHEMBL3667162 0.72 GRM5 (0.48) PDCD1CD274TLR8TLR7
Hydrochloric Acid SCHEMBL30785571 0.71 PDCD1 (0.53) PDCD1CD274TLR9TLR8TLR7
SCHEMBL15933630 0.71 PDCD1 (0.53) PDCD1CD274TLR9TLR8TLR7
SCHEMBL18550138 0.71 HTR2C (0.41) ESR1ESR2USP7
SCHEMBL14305113 0.70 PDCD1 (0.58) PDCD1CD274TLR9TLR8TLR7

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 6 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
US-20100292188-A1 Compounds Comprising A Cyclobutoxy Group UCB PHARMA S.A. (BE) 2010-11-18 US disclosed
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
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.