SCHEMBL2367413

SCHEMBL2367413

COc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3ccc(N)c([N+](=O)[O-])c3)s2)cc1

nearest known ligand 0.63

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 15/20 0.63
MAPT P10636 4/20 0.52
TP53 P04637 2/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
HPGD P15428 1/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 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
SCHEMBL2367226 0.91 TNIK (0.61) TNIKMAPTTP53LMNAPOLB
SCHEMBL2367114 0.91 TNIK (0.61) TNIKMAPTTP53LMNAPOLB
SCHEMBL2367058 0.90 TNIK (0.60) TNIKMAPTTP53LMNAPOLB
SCHEMBL3393502 0.88 TNIK (0.66) TNIKMAPTTP53LMNAPOLB
SCHEMBL2366821 0.88 TNIK (0.66) TNIKMAPTTP53LMNAPOLB
SCHEMBL2366934 0.88 TNIK (0.71) TNIKMAPTTP53LMNAPOLB
SCHEMBL2367445 0.87 TNIK (0.58) TNIKMAPTTP53
SCHEMBL3398128 0.84 TNIK (0.77) TNIKMAPTTP53LMNAPOLB
SCHEMBL2367212 0.84 TNIK (0.76) TNIKMAPTTP53LMNAPOLB
SCHEMBL3390727 0.84 TNIK (0.68) TNIKMAPTTP53LMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2364149-B1 TNIK INHIBITOR AND THE USE NAT CANCER CT (JP) 2014-05-07 EP disclosed
EP-2364149-B1 TNIK INHIBITOR AND THE USE NAT CANCER CT (JP) 2014-05-07 EP disclosed
EP-2364149-A1 TNIK INHIBITOR AND THE USE National Cancer Center (JP) 2011-09-14 EP 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
US-20100216795-A1 TNIK INHIBITOR AND THE USE YAMADA TESSHI 2010-08-26 US disclosed
WO-2010064111-A1 TNIK INHIBITOR AND THE USE YAMADA TESSHI (JP) 2010-06-10 WO disclosed
WO-2010064111-A1 TNIK INHIBITOR AND THE USE YAMADA TESSHI (JP) 2010-06-10 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-20100216795-A1 TNIK INHIBITOR AND THE USE TNIK, TNNI3K, TNK1 TNIK 1/4885MAPT 3204/4885TP53 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.