SCHEMBL433159

SCHEMBL433159

Cn1nccc1Nc1nccc(-c2ccc(N3CCC[C@@H]3C(N)=O)c(C#N)c2)n1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 3/20 0.50
MAPK1 P28482 10/20 0.48
AR P10275 1/20 0.45
MAPK6 Q16659 1/20 0.43
TBK1 Q9UHD2 4/20 0.42
IKBKE Q14164 2/20 0.42
ROCK2 O75116 1/20 0.41
ROCK1 Q13464 1/20 0.41
CDC42BPB Q9Y5S2 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
SCHEMBL433161 1.00 MAP3K14 (0.50) MAP3K14MAPK1ARMAPK6TBK1
SCHEMBL16667465 0.88 MAP3K14 (0.48) MAP3K14MAPK1MAPK6TBK1IKBKE
SCHEMBL434196 0.82 MAP3K14 (0.57) MAP3K14MAPK1MAPK6TBK1
SCHEMBL434276 0.81 ZAP70 (0.48) ARTBK1IKBKEROCK2ROCK1
SCHEMBL12505475 0.81 ZAP70 (0.48) ARTBK1IKBKEROCK2ROCK1
SCHEMBL434304 0.81 TBK1 (0.47) ARTBK1IKBKEROCK2ROCK1
SCHEMBL434302 0.81 TBK1 (0.47) ARTBK1IKBKEROCK2ROCK1
SCHEMBL434756 0.81 TBK1 (0.47) ARTBK1IKBKEROCK2ROCK1
SCHEMBL15301682 0.80 MAP3K14 (0.54) MAP3K14MAPK1MAPK6TBK1IKBKE
SCHEMBL433868 0.80 MAP3K14 (0.54) MAP3K14MAPK1MAPK6TBK1IKBKE

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 14 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-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
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
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
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 MAP3K14 101/4885MAPK1 247/4885AR 3793/4885

“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.