SCHEMBL3394602

SCHEMBL3394602

COc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3ccc(OCCN4CCOCC4)cc3)s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 14/20 0.60
AURKB Q96GD4 2/20 0.57
AURKA O14965 1/20 0.52
KDR P35968 1/20 0.52
FLT3 P36888 1/20 0.52
GAA P10253 1/20 0.49
KDM4E B2RXH2 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
RAB9A P51151 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HIF1A Q16665 1/20 0.49
EPAS1 Q99814 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
SCHEMBL3397183 0.93 TNIK (0.60) TNIKFLT3LMNAMAPT
SCHEMBL3398691 0.90 TNIK (0.64) TNIKGAA
SCHEMBL3394951 0.90 TNIK (0.55) TNIKAURKB
SCHEMBL3396815 0.88 TNIK (0.61) TNIKKDRKDM4EALDH1A1HIF1A
SCHEMBL3394625 0.86 TNIK (0.63) TNIKALDH1A1LMNAMAPTRAB9A
SCHEMBL3393532 0.86 TNIK (0.59) TNIKAURKBAURKAKDRFLT3
SCHEMBL13333398 0.85 TNIK (0.69) TNIKLMNAMAPT
SCHEMBL3396902 0.85 TNIK (0.69) TNIKLMNAMAPT
SCHEMBL3394774 0.85 TNIK (0.67) TNIKLMNAMAPT
SCHEMBL3390562 0.85 TNIK (0.67) TNIKLMNAMAPT

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 TNIK 1/4885AURKB 357/4885AURKA 397/4885
US-20100137386-A1 TNIK INHIBITOR AND THE USE TNIK, TNNI3K, TNK1 TNIK 1/4885AURKB 318/4885AURKA 293/4885

“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.