SCHEMBL19004482

SCHEMBL19004482

CC(=O)Nc1cc(-c2ccc(OC3CCOCC3)c(C#N)c2)ccn1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.72
IKBKE Q14164 19/20 0.72

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
SCHEMBL18983958 0.91 IKBKE (0.73) TBK1IKBKE
SCHEMBL18998715 0.90 IKBKE (0.69) TBK1IKBKE
SCHEMBL18984010 0.89 IKBKE (0.71) TBK1IKBKE
SCHEMBL18984193 0.89 IKBKE (0.70) TBK1IKBKE
SCHEMBL18998811 0.88 IKBKE (0.65) TBK1IKBKE
SCHEMBL19015070 0.88 IKBKE (0.67) TBK1IKBKE
SCHEMBL19004781 0.88 IKBKE (0.67) TBK1IKBKE
SCHEMBL18984195 0.87 IKBKE (0.61) TBK1IKBKE
SCHEMBL18998714 0.87 TBK1 (0.73) TBK1IKBKE
SCHEMBL18983957 0.87 IKBKE (0.68) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10316049-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-06-11 US disclosed
WO-2017106556-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2017-06-22 WO disclosed
US-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. 2017-06-22 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 (2 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-20170174713-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS TBK1 4/4885IKBKE 41/4885
US-10316049-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS TBK1 4/4885IKBKE 41/4885

“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.