SCHEMBL1667102

SCHEMBL1667102

N#Cc1ccccc1OC1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 16/20 0.49
IKBKE Q14164 7/20 0.49
KAT2B Q92831 1/20 0.49
BAZ2B Q9UIF8 1/20 0.49
PDE9A O76083 1/20 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
Ammonia Solution, Strong SCHEMBL28707534 0.98 KAT2B (0.51) TBK1IKBKEKAT2BBAZ2BPDE9A
SCHEMBL19527541 0.90 TBK1 (0.42) TBK1IKBKEKAT2BBAZ2BPDE9A
SCHEMBL15791510 0.90 TBK1 (0.42) TBK1IKBKEKAT2BBAZ2BPDE9A
SCHEMBL19527459 0.90 TBK1 (0.42) TBK1IKBKEKAT2BBAZ2BPDE9A
SCHEMBL23761235 0.88 EPHX2 (0.44)
SCHEMBL30505244 0.88 EPHX2 (0.44)
Hydrochloric Acid SCHEMBL25401967 0.86 EPHX2 (0.44)
SCHEMBL29844280 0.84 KDM4E (0.47)
SCHEMBL6530291 0.84 KDM4E (0.50) PDE9A
SCHEMBL673268 0.83 KAT2B (0.49) TBK1IKBKEKAT2BBAZ2BPDE9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2696683-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS Alzheimer's Institute of America, Inc. (US) 2014-02-19 EP claimed
WO-2014004863-A2 COMPOUNDS, COMPOSITIONS, AND THERAPEUTIC USES THEREOF ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-01-03 WO claimed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 WO claimed
EP-2488503-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON Myrexis, Inc. (US) 2012-08-22 EP claimed
WO-2011046970-A1 AMINO - PYRIMIDINE COMPOUNDS AS INHIBITORS OF TBKL AND/OR IKK EPSILON MYREXIS, INC. (US) 2011-04-21 WO claimed
CN-115135648-B Dihydronaphthyridones, preparation method and medical application thereof 劲方医药科技(上海)有限公司 2024-02-09 CN disclosed
EP-3152210-B1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES INC (US) 2023-07-05 EP disclosed
US-11440899-B2 Pyrimidine TBK/IKKe inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2022-09-13 US disclosed
EP-2970275-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2018-05-09 EP disclosed
EP-2833889-B1 PROTEIN KINASE C INHIBITORS AND USES THEREOF RIGEL PHARMACEUTICALS INC (US) 2017-11-01 EP disclosed
EP-3197884-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2017-08-02 EP disclosed
EP-3152210-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS Gilead Sciences, Inc. (US) 2017-04-12 EP disclosed
WO-2016049211-A1 AMINOTRIAZINE DERIVATIVES USEFUL AS TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2016-03-31 WO disclosed
WO-2015187684-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-10 WO disclosed
EP-2812337-A1 FURO [3, 2 - B]- AND THIENO [3, 2 - B]PYRIDINE DERIVATIVES AS TBK1 AND IKK INHIBITORS Merck Patent GmbH (DE) 2014-12-17 EP disclosed
EP-2696683-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS Alzheimer's Institute of America, Inc. (US) 2014-02-19 EP disclosed
WO-2013117285-A1 FURO [3, 2 - B] - AND THIENO [3, 2 - B] PYRIDINE DERIVATIVES AS TBK1 AND IKK INHIBITORS MERCK PATENT GMBH (DE) 2013-08-15 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
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 (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-11440899-B2 Pyrimidine TBK/IKKe inhibitor compounds and uses thereof DTYMK, TBKBP1, NFKBIA TBK1 4/4885IKBKE 5/4885KAT2B 3104/4885

“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.