SCHEMBL17387916

SCHEMBL17387916

CN1CCC(Nc2ccc(Nc3nccc(-c4cnc(N5CCC(O)C5)c(C#N)c4)n3)cn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K14 Q99558 12/20 0.44
ABL1 P00519 1/20 0.40
JAK2 O60674 3/20 0.40
TBK1 Q9UHD2 3/20 0.40
JAK1 P23458 2/20 0.40
TYK2 P29597 2/20 0.40
IKBKE Q14164 2/20 0.40
IKBKB O14920 1/20 0.40
JAK3 P52333 1/20 0.39

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
SCHEMBL15986807 1.00 MAP3K14 (0.44) MAP3K14ABL1JAK2TBK1JAK1
SCHEMBL17387773 0.92 MAP3K14 (0.43) MAP3K14TBK1IKBKEIKBKB
SCHEMBL17387769 0.92 MAP3K14 (0.43) MAP3K14TBK1IKBKEIKBKB
SCHEMBL15302014 0.90 TBK1 (0.48) MAP3K14JAK2TBK1IKBKEIKBKB
SCHEMBL15302015 0.90 TBK1 (0.48) MAP3K14JAK2TBK1IKBKEIKBKB
SCHEMBL15986806 0.90 TBK1 (0.46) MAP3K14TBK1IKBKEIKBKB
SCHEMBL15986809 0.87 MAP3K14 (0.42) MAP3K14TBK1IKBKB
SCHEMBL15971688 0.84 MAP3K14 (0.46) MAP3K14TBK1IKBKB
SCHEMBL17387755 0.83 CDK2 (0.53) MAP3K14ABL1JAK2JAK3
SCHEMBL15971991 0.83 CDK2 (0.53) MAP3K14ABL1JAK2JAK3

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 4 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
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

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 139/4885ABL1 805/4885JAK2 608/4885

“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.