SCHEMBL17387758

SCHEMBL17387758

N#Cc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)cnc1N1CC[C@H](O)C1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 18/20 0.58
JAK3 P52333 6/20 0.54
JAK1 P23458 4/20 0.54
TBK1 Q9UHD2 3/20 0.52
MAPK8 P45983 2/20 0.51
MAPK10 P53779 2/20 0.51
BMPR1B O00238 1/20 0.51
PLK4 O00444 1/20 0.51
CIT O14578 1/20 0.51
GAK O14976 1/20 0.51
OPA1 O60313 1/20 0.51
ROCK2 O75116 1/20 0.51
STK16 O75716 1/20 0.51
PRKD3 O94806 1/20 0.51
CSNK2A2 P19784 1/20 0.51
CDK2 P24941 1/20 0.51
MARK3 P27448 1/20 0.51
TYK2 P29597 1/20 0.51
BMPR1A P36894 1/20 0.51
TGFBR1 P36897 1/20 0.51

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
SCHEMBL17387759 1.00 JAK2 (0.58) JAK2JAK3JAK1TBK1MAPK8
SCHEMBL17387768 0.91 TBK1 (0.50) JAK2JAK3JAK1TBK1MAPK8
SCHEMBL17387770 0.91 TBK1 (0.50) JAK2JAK3JAK1TBK1MAPK8
SCHEMBL17387795 0.90 SMG1 (0.54) JAK2JAK3JAK1TBK1CDK2
SCHEMBL17387799 0.90 SMG1 (0.54) JAK2JAK3JAK1TBK1CDK2
SCHEMBL15971982 0.87 JAK2 (0.65) JAK2JAK3JAK1TBK1MAPK8
SCHEMBL17387871 0.83 MAP3K14 (0.54) JAK2JAK3JAK1TBK1TYK2
SCHEMBL15986810 0.83 MAP3K14 (0.54) JAK2JAK3JAK1TBK1TYK2
SCHEMBL17387857 0.82 JAK2 (0.43) JAK2JAK3JAK1TBK1MAPK8
SCHEMBL15972031 0.82 JAK2 (0.43) JAK2JAK3JAK1TBK1MAPK8

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
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
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
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

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 JAK2 608/4885JAK3 283/4885JAK1 112/4885

“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.