SCHEMBL3394633

SCHEMBL3394633

NC(=O)c1nc(Nc2ccncc2)sc1NC(=O)c1ccc(CN2CCNCC2)cc1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 8/20 0.77
IKBKE Q14164 5/20 0.77
TNIK Q9UKE5 12/20 0.65

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
SCHEMBL13224948 0.90 TBK1 (0.67) TBK1IKBKETNIK
SCHEMBL3394644 0.89 TBK1 (0.77) TBK1IKBKETNIK
SCHEMBL3397687 0.89 TBK1 (0.77) TBK1IKBKETNIK
Hydrochloric Acid SCHEMBL3398562 0.89 TBK1 (0.66) TBK1IKBKETNIK
SCHEMBL14059282 0.87 TBK1 (1.00) TBK1IKBKE
SCHEMBL15557322 0.86 TNIK (0.84) TNIK
SCHEMBL3392675 0.82 TNIK (0.71) TBK1IKBKETNIK
SCHEMBL16699997 0.79 TNIK (1.00) TNIK
SCHEMBL3396744 0.79 TBK1 (0.69) TBK1IKBKETNIK
SCHEMBL3397651 0.79 TNIK (0.73) TBK1IKBKETNIK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100216795-A1 TNIK INHIBITOR AND THE USE YAMADA TESSHI 2010-08-26 US disclosed
US-20100216795-A1 TNIK INHIBITOR AND THE USE YAMADA TESSHI 2010-08-26 US disclosed
US-20100216795-A1 TNIK INHIBITOR AND THE USE YAMADA TESSHI 2010-08-26 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-20100216795-A1 TNIK INHIBITOR AND THE USE TNIK, TNNI3K, TNK1 TBK1 128/4885IKBKE 72/4885TNIK 1/4885

“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.