SCHEMBL3397653

SCHEMBL3397653

CC(=O)Nc1ccc(C(=O)Nc2sc(Nc3ccc(N(C)C)cc3)nc2C(N)=O)cc1

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.80
TP53 P04637 1/20 0.80
POLB P06746 1/20 0.80
MAPT P10636 1/20 0.80
TNIK Q9UKE5 18/20 0.70
IKBKE Q14164 1/20 0.59
TBK1 Q9UHD2 1/20 0.59

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
SCHEMBL2367333 0.92 TNIK (0.80) LMNATP53POLBMAPTTNIK
SCHEMBL2366092 0.88 TNIK (0.74) LMNATP53POLBMAPTTNIK
SCHEMBL3393628 0.88 TNIK (0.74) LMNATP53POLBMAPTTNIK
SCHEMBL2366826 0.88 TNIK (0.80) LMNATP53POLBMAPTTNIK
SCHEMBL2366920 0.88 TNIK (0.79) LMNATP53POLBMAPTTNIK
SCHEMBL3394629 0.88 TP53 (0.77) LMNATP53POLBMAPTTNIK
SCHEMBL3394772 0.87 MAPT (0.64) LMNATP53POLBMAPTTNIK
SCHEMBL3394962 0.87 TNIK (0.72) LMNATP53POLBMAPTTNIK
SCHEMBL2367264 0.87 TNIK (0.72) LMNATP53POLBMAPTTNIK
SCHEMBL3394616 0.85 TNIK (0.70) LMNATP53POLBMAPTTNIK

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 6 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-20100137386-A1 TNIK INHIBITOR AND THE USE YAMADA TESSHI 2010-06-03 US disclosed
US-20100137386-A1 TNIK INHIBITOR AND THE USE YAMADA TESSHI 2010-06-03 US disclosed
US-20100137386-A1 TNIK INHIBITOR AND THE USE YAMADA TESSHI 2010-06-03 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 (2 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 LMNA 4362/4885TP53 1092/4885POLB 4627/4885
US-20100137386-A1 TNIK INHIBITOR AND THE USE TNIK, TNNI3K, TNK1 LMNA 4645/4885TP53 486/4885POLB 4737/4885

“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.