SCHEMBL20866005

SCHEMBL20866005

CC(C)(C)OC(=O)N1CC[C@H](Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)[C@@H](F)C1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 19/20 0.48
IKBKE Q14164 1/20 0.48
USP30 Q70CQ3 1/20 0.47
JAK2 O60674 7/20 0.41

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
SCHEMBL17631692 1.00 TBK1 (0.48) TBK1IKBKEUSP30JAK2
SCHEMBL17630956 1.00 TBK1 (0.48) TBK1IKBKEUSP30JAK2
SCHEMBL17630954 1.00 TBK1 (0.48) TBK1IKBKEUSP30JAK2
SCHEMBL18340350 1.00 TBK1 (0.48) TBK1IKBKEUSP30JAK2
SCHEMBL18340448 0.92 USP30 (0.42) TBK1IKBKEUSP30JAK2
SCHEMBL18983964 0.89 TBK1 (0.43) TBK1JAK2
SCHEMBL17289633 0.88 TBK1 (0.51) TBK1IKBKEUSP30
SCHEMBL17289843 0.88 TBK1 (0.51) TBK1IKBKEUSP30
SCHEMBL17289635 0.88 TBK1 (0.51) TBK1IKBKEUSP30
SCHEMBL23134750 0.87 USP30 (0.49) TBK1IKBKEUSP30

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 EP disclosed
US-10253019-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-09 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-10253019-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS TBK1 4/4885IKBKE 41/4885USP30 1044/4885

“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.