SCHEMBL3394629

SCHEMBL3394629

COc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3ccc(N(C)C)cc3)s2)cc1

nearest known ligand 0.77

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.77
MAPT P10636 2/20 0.77
LMNA P02545 1/20 0.77
POLB P06746 1/20 0.77
TNIK Q9UKE5 17/20 0.68
IKBKE Q14164 1/20 0.57
TBK1 Q9UHD2 1/20 0.57

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
SCHEMBL3398128 0.93 TNIK (0.77) TP53MAPTLMNAPOLBTNIK
SCHEMBL3499686 0.89 TNIK (0.65) TP53MAPTLMNAPOLBTNIK
SCHEMBL2367144 0.89 TNIK (0.71) TP53MAPTLMNAPOLBTNIK
SCHEMBL2366979 0.89 TNIK (0.85) TP53MAPTLMNAPOLBTNIK
SCHEMBL2367157 0.88 TNIK (0.73) TP53MAPTLMNAPOLBTNIK
SCHEMBL2367080 0.88 TNIK (0.70) TP53MAPTLMNAPOLBTNIK
SCHEMBL3393549 0.88 TNIK (0.70) TP53MAPTLMNAPOLBTNIK
SCHEMBL3397653 0.88 LMNA (0.80) TP53MAPTLMNAPOLBTNIK
SCHEMBL2367192 0.87 TNIK (0.78) TP53MAPTLMNAPOLBTNIK
SCHEMBL2367385 0.87 TNIK (0.69) TP53MAPTLMNAPOLBTNIK

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 7 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
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 TP53 1092/4885MAPT 3204/4885LMNA 4362/4885
US-20100137386-A1 TNIK INHIBITOR AND THE USE TNIK, TNNI3K, TNK1 TP53 486/4885MAPT 2295/4885LMNA 4645/4885

“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.