SCHEMBL18340355

SCHEMBL18340355

CC(C)(C)OC(=O)N1CCCC(Oc2ccc(B3OC(C)(C)C(C)(C)O3)cc2C#N)C1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.47
TBK1 Q9UHD2 7/20 0.46
PDE4B Q07343 7/20 0.44
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
KMT2A Q03164 1/20 0.41
CHEK2 O96017 1/20 0.39
GPR119 Q8TDV5 2/20 0.38
PDE4A P27815 1/20 0.38
PDE4C Q08493 1/20 0.38
PDE4D Q08499 1/20 0.38
IKBKE Q14164 1/20 0.37

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
SCHEMBL17289633 0.95 TBK1 (0.51) USP30TBK1PDE4BGPR119PDE4A
SCHEMBL17289843 0.95 TBK1 (0.51) USP30TBK1PDE4BGPR119PDE4A
SCHEMBL17289635 0.95 TBK1 (0.51) USP30TBK1PDE4BGPR119PDE4A
SCHEMBL17631261 0.91 USP30 (0.45) USP30TBK1PDE4BGPR119IKBKE
SCHEMBL1668076 0.89 TBK1 (0.49) USP30TBK1PDE4BGPR119PDE4A
SCHEMBL17323930 0.86 USP30 (0.47) USP30TBK1PDE4BMEN1ALDH1A1
SCHEMBL20866005 0.85 TBK1 (0.48) USP30TBK1IKBKE
SCHEMBL17630956 0.85 TBK1 (0.48) USP30TBK1IKBKE
SCHEMBL18340350 0.85 TBK1 (0.48) USP30TBK1IKBKE
SCHEMBL17631692 0.85 TBK1 (0.48) USP30TBK1IKBKE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20180244682-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2018-08-30 US disclosed
US-9988391-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2018-06-05 US disclosed
US-9988391-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2018-06-05 US disclosed
US-9988391-B2 TBK/IKK inhibitor compounds and uses thereof MERCK PATENT GMBH (DE) 2018-06-05 US disclosed
WO-2017003995-A1 TBK/IKKε INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2017-01-05 WO disclosed
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-12-29 US disclosed
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-12-29 US 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 (3 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-10428080-B2 TBK/IKK inhibitor compounds and uses thereof NFKBIA, TBKBP1, TBK1 USP30 2069/4885TBK1 3/4885PDE4B 2627/4885
US-20180244682-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF NFKBIA, TBKBP1, TBK1 USP30 2069/4885TBK1 3/4885PDE4B 2627/4885
US-20160376283-A1 TBK/IKK INHIBITOR COMPOUNDS AND USES THEREOF NFKBIA, TBKBP1, TBK1 USP30 2069/4885TBK1 3/4885PDE4B 2627/4885

“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.