SCHEMBL1668005

SCHEMBL1668005

CC1(C)OB(c2ccc(OC3CCOCC3)c(C#N)c2)OC1(C)C

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 20/20 0.45
IKBKE Q14164 11/20 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
SCHEMBL17630823 0.93 TBK1 (0.40) TBK1IKBKE
SCHEMBL17630820 0.93 TBK1 (0.40) TBK1IKBKE
SCHEMBL17306374 0.90 XDH (0.40) TBK1IKBKE
SCHEMBL19991494 0.90 XDH (0.38) TBK1IKBKE
SCHEMBL17306342 0.89 XDH (0.40) TBK1IKBKE
SCHEMBL14976737 0.88 TBK1 (0.38) TBK1IKBKE
SCHEMBL17630321 0.87 TBK1 (0.35) TBK1IKBKE
SCHEMBL19648861 0.86 TBK1 (0.43) TBK1IKBKE
SCHEMBL17289926 0.86 TBK1 (0.43) TBK1IKBKE
SCHEMBL18340159 0.86 TBK1 (0.35) 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 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3152210-B1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2023-07-05 EP disclosed
EP-3152210-B1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2023-07-05 EP disclosed
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
US-11440899-B2 Pyrimidine TBK/IKKe inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2022-09-13 US disclosed
US-20210214339-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF EMD Serono Research and Development Institute, Inc. 2021-07-15 US disclosed
US-20210214339-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF EMD Serono Research and Development Institute, Inc. 2021-07-15 US disclosed
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 EP disclosed
EP-3517536-B1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2021-05-05 EP disclosed
EP-3697773-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF Merck Patent GmbH (DE) 2020-08-26 EP disclosed
WO-2013075785-A1 3-CYANARYL-1H-PYRAZOLO[2.3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-05-30 WO disclosed
WO-2013075785-A1 3-CYANARYL-1H-PYRAZOLO[2.3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-05-30 WO disclosed
WO-2013034238-A1 BENZONITRILE DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-03-14 WO disclosed
WO-2013034238-A1 BENZONITRILE DERIVATIVES AS KINASE INHIBITORS MERCK PATENT GMBH (DE) 2013-03-14 WO disclosed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 WO disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 US disclosed
EP-2488503-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON Myrexis, Inc. (US) 2012-08-22 EP disclosed
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 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 (4 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-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB TBK1 1/4885IKBKE 7/4885
US-20230019491-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF DTYMK, TBKBP1, NFKBIA TBK1 4/4885IKBKE 5/4885
US-11440899-B2 Pyrimidine TBK/IKKe inhibitor compounds and uses thereof DTYMK, TBKBP1, NFKBIA TBK1 4/4885IKBKE 5/4885
US-20210214339-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF DTYMK, TBKBP1, NFKBIA TBK1 4/4885IKBKE 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.