SCHEMBL3390797

SCHEMBL3390797

COc1ccc(C(=O)Nc2sc(Nc3ccc(NC(=O)OC(C)(C)C)nc3)nc2C(N)=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 17/20 0.59
LMNA P02545 2/20 0.48
ALDH1A1 P00352 1/20 0.48
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 1/20 0.47

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
SCHEMBL28790624 0.93 TNIK (0.57) TNIKLMNAALDH1A1TP53MAPT
SCHEMBL3396792 0.84 TNIK (0.67) TNIKLMNATP53MAPTPOLB
SCHEMBL3394538 0.84 TNIK (0.67) TNIKLMNATP53MAPTPOLB
SCHEMBL2367370 0.84 TNIK (0.69) TNIKLMNATP53MAPTPOLB
SCHEMBL3398128 0.83 TNIK (0.77) TNIKLMNATP53MAPTPOLB
SCHEMBL3393556 0.83 TNIK (0.66) TNIKLMNATP53MAPTPOLB
SCHEMBL3390789 0.82 TNIK (0.58) TNIKLMNATP53MAPTPOLB
SCHEMBL13224859 0.81 TNIK (0.72) TNIKLMNATP53MAPTPOLB
SCHEMBL2367168 0.81 TNIK (0.64) TNIKLMNATP53MAPTPOLB
Hydrochloric Acid SCHEMBL3397582 0.81 TNIK (0.71) TNIKLMNATP53MAPTPOLB

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
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

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 4362/4885ALDH1A1 3970/4885

“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.