SCHEMBL462158

SCHEMBL462158

Cn1cc(Nc2nccc(-c3ccc(N4CCC(O)C4)c(C#N)c3)n2)cn1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 14/20 0.56
IKBKE Q14164 10/20 0.55
MAP3K14 Q99558 2/20 0.55
JAK2 O60674 4/20 0.50
JAK1 P23458 2/20 0.50
TYK2 P29597 2/20 0.50
JAK3 P52333 2/20 0.50
STAT3 P40763 1/20 0.50
BTK Q06187 2/20 0.48

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
SCHEMBL462157 1.00 TBK1 (0.56) TBK1IKBKEMAP3K14JAK2JAK1
SCHEMBL17387871 0.89 MAP3K14 (0.54) TBK1IKBKEMAP3K14JAK2JAK1
SCHEMBL15986810 0.89 MAP3K14 (0.54) TBK1IKBKEMAP3K14JAK2JAK1
SCHEMBL459048 0.86 TBK1 (0.73) TBK1IKBKEMAP3K14JAK2JAK1
SCHEMBL15974484 0.86 JAK2 (0.47) TBK1IKBKEMAP3K14JAK2JAK1
SCHEMBL15974482 0.86 JAK2 (0.47) TBK1IKBKEMAP3K14JAK2JAK1
SCHEMBL15301917 0.86 TBK1 (0.56) TBK1IKBKEMAP3K14JAK2JAK1
SCHEMBL433868 0.85 MAP3K14 (0.54) TBK1IKBKEMAP3K14JAK2
SCHEMBL15301682 0.85 MAP3K14 (0.54) TBK1IKBKEMAP3K14JAK2
SCHEMBL15301386 0.84 ZAP70 (0.50) TBK1IKBKEJAK2JAK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595964-B1 Pyrimidine compounds as inhibitors of protein kinases IKK epsilon and/or TBK-1, processes for their preparation, and pharmaceutical compositions containing them DOMAINEX LTD (GB) 2015-04-29 EP 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
EP-2595964-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) 2013-05-29 EP disclosed
WO-2012010826-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) 2012-01-26 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-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 10/4885IKBKE 2/4885MAP3K14 101/4885

“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.