SCHEMBL13279503

SCHEMBL13279503

N#Cc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)nc3)n2)ccc1NC(=O)C1CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 14/20 0.64
TBK1 Q9UHD2 5/20 0.64
JAK3 P52333 7/20 0.53
JAK1 P23458 4/20 0.51
ZAP70 P43403 1/20 0.50
SMG1 Q96Q15 2/20 0.49
PDGFRB P09619 2/20 0.48
FLT3 P36888 2/20 0.48
TYK2 P29597 2/20 0.48
PLK4 O00444 2/20 0.48
CIT O14578 2/20 0.48
GAK O14976 2/20 0.48
ROCK2 O75116 2/20 0.48
PRKD3 O94806 2/20 0.48
CSNK2A2 P19784 2/20 0.48
MARK3 P27448 2/20 0.48
MAPK8 P45983 2/20 0.48
NEK3 P51956 2/20 0.48
IKBKE Q14164 2/20 0.48
AAK1 Q2M2I8 2/20 0.48

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
SCHEMBL1669713 0.91 JAK2 (0.77) JAK2TBK1JAK3JAK1PDGFRB
SCHEMBL12274032 0.88 JAK2 (0.73) JAK2TBK1JAK3JAK1PDGFRB
SCHEMBL13467117 0.88 JAK2 (0.55) JAK2TBK1JAK3JAK1ZAP70
SCHEMBL13279889 0.88 JAK2 (0.52) JAK2TBK1JAK3JAK1ZAP70
SCHEMBL12275181 0.88 JAK2 (0.72) JAK2TBK1JAK3JAK1PDGFRB
SCHEMBL12521805 0.88 JAK2 (0.72) JAK2TBK1JAK3JAK1PDGFRB
SCHEMBL12522340 0.87 JAK2 (0.71) JAK2TBK1JAK3JAK1PDGFRB
SCHEMBL13279912 0.84 TBK1 (0.52) JAK2TBK1PDGFRBIKBKEIKBKB
SCHEMBL13279693 0.84 TBK1 (0.51) JAK2TBK1JAK3PDGFRBIKBKE
SCHEMBL13279695 0.82 TBK1 (0.50) JAK2TBK1JAK3JAK1PDGFRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 US claimed
EP-2696683-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS Alzheimer's Institute of America, Inc. (US) 2014-02-19 EP claimed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 WO claimed
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 US disclosed
US-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS ALZHEIMER'S INSTITUTE OF AMERICA, INC. (US) 2014-09-25 US disclosed
EP-2696683-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS Alzheimer's Institute of America, Inc. (US) 2014-02-19 EP disclosed
WO-2012142329-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS MYREXIS, INC. (US) 2012-10-18 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-20140288044-A1 COMPOSITIONS AND THERAPEUTIC USES OF IKK-RELATED KINASE EPSILON AND TANKBINDING KINASE 1 INHIBITORS CSNK1G1, PRKCE, PHKG1 JAK2 396/4885TBK1 12/4885JAK3 411/4885

“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.