SCHEMBL15307921

SCHEMBL15307921

CCOC(=O)c1cnc(Nc2nccc(-c3ccc(N4CCCC4)c(C#N)c3)n2)o1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 9/20 0.49
NLRP3 Q96P20 1/20 0.45
IKBKE Q14164 6/20 0.41
MAP3K14 Q99558 4/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
JAK2 O60674 4/20 0.40
JAK3 P52333 3/20 0.40
NEK3 P51956 1/20 0.39
LIMK1 P53667 1/20 0.39
NEK5 Q6P3R8 1/20 0.39
MYLK4 Q86YV6 1/20 0.39
STK17A Q9UEE5 1/20 0.39

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
SCHEMBL10080744 0.88 TBK1 (0.54) TBK1IKBKEMAP3K14JAK2JAK3
SCHEMBL10080689 0.87 TBK1 (0.53) TBK1IKBKEMAP3K14JAK2JAK3
SCHEMBL10080739 0.86 TBK1 (0.49) TBK1NLRP3IKBKEMAP3K14KDM4E
SCHEMBL459047 0.82 TBK1 (0.49) TBK1IKBKEMAP3K14JAK2JAK3
SCHEMBL16667407 0.81 TBK1 (0.51) TBK1IKBKEJAK2JAK3NEK3
SCHEMBL16684089 0.77 TBK1 (0.54) TBK1IKBKEMAP3K14
SCHEMBL434250 0.76 TBK1 (0.58) TBK1IKBKEMAP3K14JAK2MYLK4
SCHEMBL10080690 0.75 TBK1 (0.53) TBK1IKBKEMAP3K14JAK2JAK3
SCHEMBL434196 0.75 MAP3K14 (0.57) TBK1MAP3K14
SCHEMBL16667457 0.75 TBK1 (0.51) TBK1IKBKEMAP3K14JAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8962609-B2 Pyrimidine compounds as inhibitors of protein kinases IKK epsilon and/or TBK-1, processes for their preparation, and pharmaceutical compositions containing them DOMAINEX LIMITED (GB) 2015-02-24 US disclosed
US-8962609-B2 Pyrimidine compounds as inhibitors of protein kinases IKK epsilon and/or TBK-1, processes for their preparation, and pharmaceutical compositions containing them DOMAINEX LIMITED (GB) 2015-02-24 US disclosed
US-20130267491-A1 PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMAINEX LIMITED (GB) 2013-10-10 US disclosed
US-20130267491-A1 PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DOMAINEX LIMITED (GB) 2013-10-10 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 (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-20130267491-A1 PYRIMIDINE COMPOUNDS AS INHIBITORS OF PROTEIN KINASES IKK EPSILON AND/OR TBK-1, PROCESSES FOR THEIR PREPARATION, AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CHUK, IKBKE, TBKBP1 TBK1 10/4885NLRP3 1892/4885IKBKE 2/4885

“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.