SCHEMBL20918396

SCHEMBL20918396

CC(C)(C)OC(=O)N1CCC(Oc2ccc(-c3ccnc(N)n3)cc2C#N)C(F)(F)C1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 12/20 0.47
JAK2 O60674 3/20 0.47
IKBKE Q14164 3/20 0.44
GPR119 Q8TDV5 1/20 0.44

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
SCHEMBL20918759 1.00 TBK1 (0.47) TBK1JAK2IKBKEGPR119
SCHEMBL20918740 0.91 AAK1 (0.50) TBK1JAK2IKBKEGPR119
SCHEMBL20918515 0.91 AAK1 (0.50) TBK1JAK2IKBKEGPR119
SCHEMBL28408117 0.91 GPR119 (0.42) TBK1JAK2GPR119
SCHEMBL28408114 0.91 TBK1 (0.40) TBK1JAK2IKBKEGPR119
SCHEMBL24904138 0.90 GPR119 (0.43) TBK1JAK2GPR119
SCHEMBL24904176 0.89 PIK3CD (0.41) TBK1JAK2GPR119
SCHEMBL20934771 0.88 TBK1 (0.40) TBK1JAK2GPR119
SCHEMBL20918592 0.88 TBK1 (0.40) TBK1JAK2GPR119
SCHEMBL20934875 0.87 TBK1 (0.47) TBK1JAK2IKBKEGPR119

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 6 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
US-20230019491-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF EMD Serono Research and Development Institute, Inc. 2023-01-19 US disclosed
EP-3697772-A1 PYRIMIDINE TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2020-08-26 EP disclosed
CN-111247135-A Pyrimidine T-K/I-K-P inhibitor compound and application thereof 默克专利股份公司 2020-06-05 CN disclosed
WO-2019079373-A1 PYRIMIDINE TBK/IKKε INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-04-25 WO 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 1021/4885IKBKE 5/4885

“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.