SCHEMBL15986810

SCHEMBL15986810

Cn1cc(Nc2nccc(-c3cnc(N4CC[C@H](O)C4)c(C#N)c3)n2)cn1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 2/20 0.54
TBK1 Q9UHD2 11/20 0.51
IKBKE Q14164 10/20 0.51
JAK2 O60674 6/20 0.49
JAK1 P23458 6/20 0.49
TYK2 P29597 6/20 0.49
JAK3 P52333 4/20 0.49
STAT3 P40763 1/20 0.49
TTK P33981 1/20 0.45

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
SCHEMBL17387871 1.00 MAP3K14 (0.54) MAP3K14TBK1IKBKEJAK2JAK1
SCHEMBL15974620 0.91 MAP3K14 (0.53) MAP3K14TBK1IKBKEJAK2JAK1
SCHEMBL15974622 0.91 MAP3K14 (0.53) MAP3K14TBK1IKBKEJAK2JAK1
SCHEMBL462157 0.89 TBK1 (0.56) MAP3K14TBK1IKBKEJAK2JAK1
SCHEMBL462158 0.89 TBK1 (0.56) MAP3K14TBK1IKBKEJAK2JAK1
SCHEMBL17387816 0.85 MAP3K14 (0.54) MAP3K14TBK1IKBKEJAK2JAK1
SCHEMBL17403594 0.85 MAP3K14 (0.54) MAP3K14TBK1IKBKEJAK2JAK1
SCHEMBL17387758 0.83 JAK2 (0.58) TBK1IKBKEJAK2JAK1TYK2
SCHEMBL17387759 0.83 JAK2 (0.58) TBK1IKBKEJAK2JAK1TYK2
SCHEMBL17387916 0.83 MAP3K14 (0.44) MAP3K14TBK1IKBKEJAK2JAK1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9433622-B2 Pyrimidine compounds useful in the treatment of diseases mediated by IKKE and/or TBK1 mechanisms CASE WESTERN RESERVE UNIVERSITY (US) 2016-09-06 US claimed
EP-2958910-B1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS DOMAINEX LTD (GB) 2016-08-03 EP claimed
US-20160000784-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS DOMAINEX LIMITED (GB) 2016-01-07 US claimed
US-9433622-B2 Pyrimidine compounds useful in the treatment of diseases mediated by IKKE and/or TBK1 mechanisms CASE WESTERN RESERVE UNIVERSITY (US) 2016-09-06 US disclosed
US-9433622-B2 Pyrimidine compounds useful in the treatment of diseases mediated by IKKE and/or TBK1 mechanisms CASE WESTERN RESERVE UNIVERSITY (US) 2016-09-06 US disclosed
EP-2958910-B1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS DOMAINEX LTD (GB) 2016-08-03 EP disclosed
US-20160000784-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS DOMAINEX LIMITED (GB) 2016-01-07 US disclosed
US-20160000784-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS DOMAINEX LIMITED (GB) 2016-01-07 US disclosed
WO-2014128486-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS DOMAINEX LIMITED (GB) 2014-08-28 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-20160000784-A1 PYRIMIDINE COMPOUNDS USEFUL IN THE TREATMENT OF DISEASES MEDIATED BY IKKE AND/OR TBK1 MECHANISMS TBK1, TBKBP1, TYMS MAP3K14 139/4885TBK1 1/4885IKBKE 10/4885

“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.