SCHEMBL20935142

SCHEMBL20935142

CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3nc(N)ncc3F)cc2C#N)C(F)(F)C1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 18/20 0.47
JAK2 O60674 10/20 0.47
GPR119 Q8TDV5 2/20 0.46

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
SCHEMBL20934875 0.92 TBK1 (0.47) TBK1JAK2GPR119
SCHEMBL20918483 0.92 TBK1 (0.46) TBK1JAK2GPR119
SCHEMBL20918723 0.92 TBK1 (0.46) TBK1JAK2GPR119
SCHEMBL20918396 0.87 TBK1 (0.47) TBK1JAK2GPR119
SCHEMBL20918759 0.87 TBK1 (0.47) TBK1JAK2GPR119
SCHEMBL20919432 0.83 IKBKE (0.52) TBK1JAK2GPR119
SCHEMBL20919380 0.83 IKBKE (0.52) TBK1JAK2GPR119
SCHEMBL24904138 0.81 GPR119 (0.43) TBK1JAK2GPR119
SCHEMBL20918515 0.81 AAK1 (0.50) TBK1JAK2GPR119
SCHEMBL20918740 0.81 AAK1 (0.50) 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.