SCHEMBL10081570

SCHEMBL10081570

CN(C)CCNc1ccc(Nc2nccc(-c3ccc(N4CCCC4)c(C#N)c3)n2)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 5/20 0.57
CCNA2 P20248 2/20 0.43
CDK2 P24941 2/20 0.43
CCNA1 P78396 2/20 0.43
STK17A Q9UEE5 6/20 0.43
MYLK4 Q86YV6 4/20 0.43
CLK4 Q9HAZ1 1/20 0.43
MKNK1 Q9BUB5 1/20 0.42
IKBKE Q14164 1/20 0.42
MAP3K14 Q99558 2/20 0.41
PRKD3 O94806 1/20 0.41
EGFR P00533 1/20 0.41
PRKCG P05129 1/20 0.41
PRKCB P05771 1/20 0.41
LCK P06239 1/20 0.41
PRKCA P17252 1/20 0.41
PRKCH P24723 1/20 0.41
PRKCI P41743 1/20 0.41
ZAP70 P43403 1/20 0.41
PRKCE Q02156 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
SCHEMBL10081680 0.92 TBK1 (0.48) TBK1CCNA2CDK2CCNA1STK17A
SCHEMBL15301597 0.89 TBK1 (0.45) TBK1CCNA2CDK2CCNA1STK17A
SCHEMBL15301595 0.89 TBK1 (0.45) TBK1CCNA2CDK2CCNA1STK17A
SCHEMBL10081672 0.89 TBK1 (0.45) TBK1CCNA2CDK2CCNA1MKNK1
SCHEMBL15302160 0.89 TBK1 (0.45) TBK1CCNA2CDK2CCNA1MKNK1
SCHEMBL15301489 0.89 TBK1 (0.45) TBK1STK17AMKNK1IKBKEMAP3K14
SCHEMBL15301487 0.89 TBK1 (0.45) TBK1STK17AMKNK1IKBKEMAP3K14
SCHEMBL10081673 0.88 TBK1 (0.47) TBK1STK17AMYLK4IKBKEMAP3K14
SCHEMBL10081575 0.86 TBK1 (0.55) TBK1CCNA2CDK2CCNA1STK17A
SCHEMBL433250 0.85 TBK1 (0.55) TBK1CCNA2CDK2CCNA1STK17A

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 10 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-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 10/4885CCNA2 680/4885CDK2 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.