SCHEMBL3398216

SCHEMBL3398216

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

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 18/20 0.59
LMNA P02545 1/20 0.56
TP53 P04637 1/20 0.56
POLB P06746 1/20 0.56
MAPT P10636 1/20 0.56
IKBKE Q14164 1/20 0.52
TBK1 Q9UHD2 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
SCHEMBL3392602 0.88 TNIK (0.58) TNIKLMNATP53POLBMAPT
SCHEMBL3393893 0.87 TNIK (0.67) TNIKLMNATP53POLBMAPT
SCHEMBL3394961 0.86 TNIK (0.74) TNIKLMNATP53POLBMAPT
SCHEMBL3396744 0.85 TBK1 (0.69) TNIKLMNATP53POLBMAPT
SCHEMBL3392675 0.85 TNIK (0.71) TNIKLMNATP53POLBMAPT
SCHEMBL15534024 0.85 TNIK (0.78) TNIK
SCHEMBL3390831 0.84 TNIK (0.64) TNIKLMNATP53POLBMAPT
SCHEMBL3396325 0.82 TNIK (0.60) TNIKLMNATP53POLBMAPT
SCHEMBL13333377 0.82 TNIK (0.60) TNIKLMNATP53POLBMAPT
SCHEMBL2367268 0.82 TNIK (0.68) TNIKLMNATP53POLBMAPT

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 2 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

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 TNIK 1/4885LMNA 4362/4885TP53 1092/4885

“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.