SCHEMBL12522232

SCHEMBL12522232

C=C(C)OC(=O)N1CC(Oc2ccc(-c3ccnc(Nc4ccc(N5CCOCC5)cc4)n3)cc2C#N)C1

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 13/20 0.57
JAK2 O60674 11/20 0.57
JAK3 P52333 4/20 0.55
IKBKE Q14164 4/20 0.53
JAK1 P23458 1/20 0.52

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
SCHEMBL12522327 0.94 TBK1 (0.59) TBK1JAK2JAK3IKBKE
SCHEMBL12274845 0.91 TBK1 (0.66) TBK1JAK2JAK3IKBKEJAK1
SCHEMBL12274965 0.90 TBK1 (0.62) TBK1JAK2JAK3IKBKEJAK1
SCHEMBL1667705 0.89 TBK1 (0.62) TBK1JAK2JAK3IKBKEJAK1
SCHEMBL12274829 0.88 TBK1 (0.67) TBK1JAK2IKBKE
SCHEMBL12274726 0.87 TBK1 (0.62) TBK1JAK2JAK3
SCHEMBL12274555 0.87 TBK1 (0.72) TBK1JAK2JAK3IKBKEJAK1
SCHEMBL12275606 0.86 TBK1 (0.70) TBK1JAK2IKBKE
SCHEMBL12522351 0.86 TBK1 (0.66) TBK1JAK2IKBKE
SCHEMBL12274014 0.86 TBK1 (0.64) TBK1JAK2JAK3IKBKEJAK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 MYREXIS, INC. (US) 2012-09-20 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-20120238540-A1 AMINO-PYRIMIDINE COMPOUNDS AS INHIBITORS OF IKK EPSILON AND/OR TBK1 TBK1, NFKBIA, IKBKB TBK1 1/4885JAK2 458/4885JAK3 197/4885

“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.