SCHEMBL435478

SCHEMBL435478

CN(C)CCNc1ccc(Nc2nccc(-c3ccc(N4CCCC4C(N)=O)c(C#N)c3)n2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 8/20 0.43
IKBKE Q14164 6/20 0.39
STK17A Q9UEE5 2/20 0.39
AR P10275 1/20 0.39
PRKD3 O94806 1/20 0.38
EGFR P00533 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
LCK P06239 1/20 0.38
PRKCA P17252 1/20 0.38
PRKCH P24723 1/20 0.38
PRKCI P41743 1/20 0.38
ZAP70 P43403 1/20 0.38
PRKCE Q02156 1/20 0.38
PRKCQ Q04759 1/20 0.38
PRKCZ Q05513 1/20 0.38
PRKCD Q05655 1/20 0.38
PRKD1 Q15139 1/20 0.38
MAP3K14 Q99558 5/20 0.37
JAK2 O60674 2/20 0.37

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
SCHEMBL15301851 1.00 TBK1 (0.43) TBK1IKBKESTK17AARPRKD3
SCHEMBL15302160 0.89 TBK1 (0.45) TBK1IKBKEMAP3K14
SCHEMBL10081672 0.89 TBK1 (0.45) TBK1IKBKEMAP3K14
SCHEMBL10081673 0.88 TBK1 (0.47) TBK1IKBKESTK17APRKD3EGFR
SCHEMBL434302 0.87 TBK1 (0.47) TBK1IKBKEARJAK2JAK3
SCHEMBL434756 0.87 TBK1 (0.47) TBK1IKBKEARJAK2JAK3
SCHEMBL434304 0.87 TBK1 (0.47) TBK1IKBKEARJAK2JAK3
SCHEMBL10081680 0.85 TBK1 (0.48) TBK1IKBKESTK17AMAP3K14JAK2
SCHEMBL10081570 0.85 TBK1 (0.57) TBK1IKBKESTK17APRKD3EGFR
SCHEMBL15301489 0.83 TBK1 (0.45) TBK1IKBKESTK17AMAP3K14JAK2

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 2/4885STK17A 253/4885

“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.