SCHEMBL20934895

SCHEMBL20934895

Cc1cc(OC2CCN(C(=O)OC(C)(C)C)CC2(F)F)c(C#N)cc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 14/20 0.37
JAK2 O60674 11/20 0.37
GPR119 Q8TDV5 5/20 0.37
USP30 Q70CQ3 1/20 0.36

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
SCHEMBL17631637 0.86 USP30 (0.44) TBK1JAK2GPR119USP30
SCHEMBL17631639 0.86 USP30 (0.44) TBK1JAK2GPR119USP30
SCHEMBL20934896 0.84 GPR119 (0.40) TBK1JAK2GPR119
SCHEMBL24904180 0.80 USP30 (0.46) TBK1JAK2GPR119USP30
SCHEMBL17630409 0.77 TBK1 (0.44) TBK1JAK2GPR119USP30
SCHEMBL17630410 0.77 TBK1 (0.44) TBK1JAK2GPR119USP30
SCHEMBL23639481 0.76 USP30 (0.46) GPR119USP30
SCHEMBL20935188 0.76 GPR119 (0.41) TBK1JAK2GPR119
SCHEMBL17645042 0.76 TBK1 (0.43) TBK1JAK2GPR119USP30
SCHEMBL20934771 0.75 TBK1 (0.40) TBK1JAK2GPR119

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
US-20230019491-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF EMD Serono Research and Development Institute, Inc. 2023-01-19 US disclosed
WO-2019079373-A1 PYRIMIDINE TBK/IKKε INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-04-25 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-20230019491-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF DTYMK, TBKBP1, NFKBIA TBK1 4/4885JAK2 1021/4885GPR119 1450/4885

“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.