SCHEMBL3397183

SCHEMBL3397183

COc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3ccc(OCCN4CCCC4)cc3)s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 16/20 0.60
BRD4 O60885 2/20 0.49
JAK1 P23458 2/20 0.49
HDAC1 Q13547 2/20 0.49
JAK2 O60674 1/20 0.49
RET P07949 1/20 0.49
TYK2 P29597 1/20 0.49
FLT3 P36888 1/20 0.49
JAK3 P52333 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
LMNA P02545 1/20 0.49
TP53 P04637 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49

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
SCHEMBL3394602 0.93 TNIK (0.60) TNIKFLT3LMNAMAPT
SCHEMBL3394878 0.90 TNIK (0.75) TNIK
SCHEMBL3396884 0.90 TNIK (0.55) TNIK
SCHEMBL3392237 0.89 TNIK (0.76) TNIK
SCHEMBL3396902 0.87 TNIK (0.69) TNIKLMNATP53POLBMAPT
SCHEMBL3390562 0.87 TNIK (0.67) TNIKLMNATP53POLBMAPT
SCHEMBL13333398 0.87 TNIK (0.69) TNIKLMNATP53POLBMAPT
SCHEMBL3394774 0.87 TNIK (0.67) TNIKLMNATP53POLBMAPT
SCHEMBL3392252 0.87 TNIK (0.60) TNIKLMNATP53POLBMAPT
SCHEMBL3394890 0.86 TNIK (0.59) TNIK

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 9 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
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
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 TNIK 1/4885BRD4 2134/4885JAK1 1075/4885
US-20100137386-A1 TNIK INHIBITOR AND THE USE TNIK, TNNI3K, TNK1 TNIK 1/4885BRD4 1805/4885JAK1 1430/4885

“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.