SCHEMBL435042

SCHEMBL435042

Cn1nc(C(N)=O)cc1Nc1nccc(-c2ccc(N3CCCC3)c(C#N)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 2/20 0.53
MAP3K14 Q99558 16/20 0.52
CDK2 P24941 2/20 0.43
CDC7 O00311 1/20 0.43
ROCK2 O75116 1/20 0.43
MAP4K4 O95819 1/20 0.43
GSK3B P49841 1/20 0.43
CLK4 Q9HAZ1 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
CCNA2 P20248 1/20 0.41
CCNA1 P78396 1/20 0.41

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
SCHEMBL10081115 0.91 TBK1 (0.52) TBK1MAP3K14CDK2CCNA2CCNA1
SCHEMBL16667459 0.88 TBK1 (0.51) TBK1MAP3K14CDK2CCNA2CCNA1
SCHEMBL10080362 0.84 TBK1 (0.53) TBK1MAP3K14CDK2CDC7ROCK2
SCHEMBL10080690 0.82 TBK1 (0.53) TBK1MAP3K14CDK2CDC7ROCK2
SCHEMBL434196 0.82 MAP3K14 (0.57) TBK1MAP3K14CDK2CCNA2CCNA1
SCHEMBL433957 0.81 TBK1 (0.63) TBK1CDK2ROCK2GSK3B
SCHEMBL16667464 0.81 TBK1 (0.51) TBK1MAP3K14
SCHEMBL458957 0.80 TBK1 (0.46) TBK1MAP3K14
SCHEMBL15307922 0.80 TBK1 (0.53) TBK1MAP3K14
SCHEMBL433909 0.79 TBK1 (0.53) TBK1MAP3K14CDK2CDC7ROCK2

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 13 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 claimed
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 claimed
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 claimed
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 claimed
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 claimed
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-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
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
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 10/4885MAP3K14 101/4885CDK2 19/4885

“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.