SCHEMBL14976104

SCHEMBL14976104

CC1(C)OB(c2cnc(OC3CCOCC3)c(C#N)c2)OC1(C)C

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 17/20 0.41
IKBKE Q14164 7/20 0.37
AAK1 Q2M2I8 1/20 0.36
LRRK2 Q5S007 2/20 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
SCHEMBL25931225 0.83 AAK1 (0.38) AAK1LRRK2
SCHEMBL1668005 0.79 TBK1 (0.45) TBK1IKBKE
SCHEMBL3451096 0.79 ALPL (0.43) AAK1
SCHEMBL30905953 0.79 ALPL (0.43) AAK1
SCHEMBL25931520 0.78 AAK1 (0.37) TBK1IKBKEAAK1LRRK2
SCHEMBL18339647 0.77 PDE9A (0.33) TBK1IKBKE
SCHEMBL18340101 0.77 LRRK2 (0.38) LRRK2
SCHEMBL16754644 0.77 AAK1 (0.42) AAK1
SCHEMBL35211941 0.76 ROCK2 (0.35) AAK1LRRK2
SCHEMBL1668192 0.76 TBK1 (0.39) 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 36 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-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
US-10428080-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2019-10-01 US disclosed
US-10428080-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2019-10-01 US disclosed
WO-2019079375-A1 PYRIMIDINE ΤΒΚ/ΙΚΚε INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2019-04-25 WO disclosed
US-10259811-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-16 US disclosed
US-10259811-B2 Tank-binding kinase inhibitor compounds GILEAD SCIENCES, INC. (US) 2019-04-16 US disclosed
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 US disclosed
US-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS GILEAD SCIENCES, INC. (US) 2015-12-03 US disclosed
US-9102675-B2 3-Cyanoaryl-1H-pyrrolo[2,3-B] pyridine derivatives MERCK PATENT GMBH (DE) 2015-08-11 US disclosed
US-9102675-B2 3-Cyanoaryl-1H-pyrrolo[2,3-B] pyridine derivatives MERCK PATENT GMBH (DE) 2015-08-11 US disclosed
US-9102675-B2 3-Cyanoaryl-1H-pyrrolo[2,3-B] pyridine derivatives MERCK PATENT GMBH (DE) 2015-08-11 US disclosed
US-20140323481-A1 3-CYANOARYL-1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-10-30 US disclosed
US-20140323481-A1 3-CYANOARYL-1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-10-30 US disclosed
US-20140323481-A1 3-CYANOARYL-1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2014-10-30 US disclosed
EP-2794602-A1 3-CYANARYL-1H-PYRAZOLO(2.3-B) PYRIDINE DERIVATIVES Merck Patent GmbH (DE) 2014-10-29 EP disclosed
WO-2013075785-A1 3-CYANARYL-1H-PYRAZOLO[2.3-B]PYRIDINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-05-30 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 (6 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-20150344473-A1 TANK-BINDING KINASE INHIBITOR COMPOUNDS TBKBP1, TNKS1BP1, TNKS TBK1 4/4885IKBKE 41/4885AAK1 328/4885
US-10428080-B2 TBK/IKK inhibitor compounds and uses thereof NFKBIA, TBKBP1, TBK1 TBK1 3/4885IKBKE 4/4885AAK1 309/4885
US-10259811-B2 Tank-binding kinase inhibitor compounds TBKBP1, TNKS1BP1, TNKS TBK1 4/4885IKBKE 41/4885AAK1 328/4885
US-20140323481-A1 3-CYANOARYL-1H-PYRROLO[2,3-B]PYRIDINE DERIVATIVES TBK1, NFKBIA, IKBKG TBK1 1/4885IKBKE 11/4885AAK1 376/4885
US-11440899-B2 Pyrimidine TBK/IKKe inhibitor compounds and uses thereof DTYMK, TBKBP1, NFKBIA TBK1 4/4885IKBKE 5/4885AAK1 282/4885
US-20210214339-A1 PYRIMIDINE TBK/IKKe INHIBITOR COMPOUNDS AND USES THEREOF DTYMK, TBKBP1, NFKBIA TBK1 4/4885IKBKE 5/4885AAK1 282/4885

“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.