SCHEMBL3394973

SCHEMBL3394973

Cc1ccc(C(=O)Nc2sc(Nc3ccnc(F)c3)nc2C(N)=O)cc1[N+](=O)[O-]

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 15/20 0.54
ALDH1A1 P00352 3/20 0.48
HPGD P15428 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
LMNA P02545 2/20 0.48
NPC1 O15118 1/20 0.48
NFKB1 P19838 1/20 0.48
RAB9A P51151 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
POLB P06746 2/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
MAPT P10636 2/20 0.46
TP53 P04637 1/20 0.45

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
SCHEMBL3394585 0.87 TNIK (0.53) TNIKLMNAPOLBMAPTTP53
SCHEMBL13224970 0.87 TNIK (0.70) TNIKLMNAPOLBMAPTTP53
SCHEMBL3360261 0.86 TNIK (0.46) TNIKALDH1A1POLB
SCHEMBL15534443 0.84 TNIK (0.75) TNIK
SCHEMBL2367226 0.82 TNIK (0.61) TNIKALDH1A1HPGDSMN1; SMN2MEN1
SCHEMBL3394455 0.82 TNIK (0.62) TNIKLMNAPOLBMAPTTP53
SCHEMBL3390780 0.81 TNIK (0.57) TNIKLMNAPOLBMAPTTP53
SCHEMBL3398500 0.81 TNIK (0.68) TNIKLMNAPOLBMAPTTP53
SCHEMBL3397654 0.80 TNIK (0.70) TNIKLMNAPOLBMAPTTP53
SCHEMBL3398212 0.79 TNIK (0.58) TNIKLMNAPOLBMAPTTP53

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 4 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
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 1/4885ALDH1A1 3970/4885HPGD 2756/4885

“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.