SCHEMBL15302015

SCHEMBL15302015

CN1CCC(Nc2ccc(Nc3nccc(-c4ccc(N5CCC(O)C5)c(C#N)c4)n3)cn2)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 6/20 0.48
JAK2 O60674 3/20 0.46
MAP3K14 Q99558 7/20 0.44
CCNA2 P20248 3/20 0.44
CDK2 P24941 3/20 0.44
CCNA1 P78396 3/20 0.44
IKBKE Q14164 3/20 0.43
JAK3 P52333 1/20 0.43
IKBKB O14920 1/20 0.42
CCNT1 O60563 1/20 0.41
CDK9 P50750 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
SCHEMBL15302014 1.00 TBK1 (0.48) TBK1JAK2MAP3K14CCNA2CDK2
SCHEMBL15301730 0.92 TBK1 (0.48) TBK1JAK2MAP3K14CCNA2CDK2
SCHEMBL15301729 0.92 TBK1 (0.48) TBK1JAK2MAP3K14CCNA2CDK2
SCHEMBL10081102 0.92 TBK1 (0.48) TBK1JAK2MAP3K14CCNA2CDK2
SCHEMBL17387916 0.90 MAP3K14 (0.44) TBK1JAK2MAP3K14IKBKEJAK3
SCHEMBL15986807 0.90 MAP3K14 (0.44) TBK1JAK2MAP3K14IKBKEJAK3
SCHEMBL10081103 0.90 TBK1 (0.59) TBK1MAP3K14CCNA2CDK2CCNA1
SCHEMBL10081652 0.88 TBK1 (0.49) TBK1JAK2IKBKEJAK3
SCHEMBL15301609 0.88 TBK1 (0.49) TBK1JAK2IKBKEJAK3
SCHEMBL15302387 0.88 TBK1 (0.49) TBK1JAK2IKBKEJAK3

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 3 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

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 10/4885JAK2 629/4885MAP3K14 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.