SCHEMBL17306374

SCHEMBL17306374

CC1(C)OB(c2ccc(OC3CCCC3)c(C#N)c2)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
XDH P47989 1/20 0.40
PDE5A O76074 1/20 0.38
PDE1A P54750 1/20 0.38
PDE1B Q01064 1/20 0.38
PDE1C Q14123 1/20 0.38
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 2/20 0.36
PDE4D Q08499 2/20 0.36
TBK1 Q9UHD2 7/20 0.36
IKBKE Q14164 4/20 0.35
ESR2 Q92731 1/20 0.34
HIF1A Q16665 1/20 0.34

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
SCHEMBL17306342 0.99 XDH (0.40) XDHPDE5APDE1APDE1BPDE1C
SCHEMBL19991494 0.97 XDH (0.38) XDHPDE5APDE1APDE1BPDE1C
SCHEMBL1668005 0.90 TBK1 (0.45) TBK1IKBKE
SCHEMBL17630321 0.89 TBK1 (0.35) TBK1IKBKEESR2
SCHEMBL17289926 0.89 TBK1 (0.43) XDHTBK1IKBKEESR2
SCHEMBL17630245 0.88 TBK1 (0.37) TBK1IKBKE
SCHEMBL17631124 0.88 TBK1 (0.34) TBK1IKBKEESR2
SCHEMBL18340079 0.88 TBK1 (0.43) TBK1IKBKE
SCHEMBL14976737 0.88 TBK1 (0.38) TBK1IKBKEESR2
SCHEMBL17289626 0.87 TBK1 (0.41) TBK1IKBKE

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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS XDH 3680/4885PDE5A 4201/4885PDE1A 1957/4885

“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.