SCHEMBL3393231

SCHEMBL3393231

COc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3ccc(OCCN(C)C)c(N)c3)s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 17/20 0.59
TP53 P04637 2/20 0.49
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
TUBB8B A6NNZ2 1/20 0.46
TUBB4A P04350 1/20 0.46
TUBB P07437 1/20 0.46
TUBB4B P68371 1/20 0.46
TUBB3 Q13509 1/20 0.46
TUBB2A Q13885 1/20 0.46
TUBB8 Q3ZCM7 1/20 0.46
TUBB6 Q9BUF5 1/20 0.46
TUBB2B Q9BVA1 1/20 0.46
TUBB1 Q9H4B7 1/20 0.46
SPHK2 Q9NRA0 1/20 0.46
SPHK1 Q9NYA1 1/20 0.46

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
SCHEMBL3397322 0.92 TNIK (0.62) TNIKTP53MAPTLMNAPOLB
SCHEMBL2366707 0.92 TNIK (0.62) TNIKTP53MAPT
SCHEMBL13248775 0.91 TNIK (0.55) TNIKTP53MAPTLMNAPOLB
SCHEMBL3434372 0.89 TNIK (0.63) TNIKTP53MAPTLMNAPOLB
SCHEMBL3390727 0.88 TNIK (0.68) TNIKTP53MAPTLMNAPOLB
SCHEMBL3396884 0.86 TNIK (0.55) TNIK
SCHEMBL3398208 0.85 TNIK (0.53) TNIKTP53MAPTLMNAPOLB
SCHEMBL3393517 0.85 TNIK (0.64) TNIKTP53MAPTLMNAPOLB
SCHEMBL3398527 0.85 TNIK (0.56) TNIK
SCHEMBL2366934 0.84 TNIK (0.71) TNIKTP53MAPTLMNAPOLB

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 TNIK 1/4885TP53 1092/4885MAPT 3204/4885

“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.