SCHEMBL3392252

SCHEMBL3392252

COc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3ccc(NC(=O)CN4CCCC4)cc3)s2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 13/20 0.60
L3MBTL1 Q9Y468 1/20 0.56
KDM4E B2RXH2 1/20 0.54
ESR1 P03372 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.51
LMNA P02545 1/20 0.50
TP53 P04637 1/20 0.50
POLB P06746 1/20 0.50
MAPT P10636 1/20 0.50
KDR P35968 1/20 0.50

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
SCHEMBL3394890 0.99 TNIK (0.59) TNIKL3MBTL1KDM4EESR1SMN1; SMN2
SCHEMBL3390733 0.93 TNIK (0.62) TNIKL3MBTL1ESR1KDR
SCHEMBL3396815 0.92 TNIK (0.61) TNIKL3MBTL1KDM4EKDR
SCHEMBL3397183 0.87 TNIK (0.60) TNIKLMNATP53POLBMAPT
SCHEMBL3394878 0.87 TNIK (0.75) TNIK
SCHEMBL3392237 0.86 TNIK (0.76) TNIK
SCHEMBL3393893 0.86 TNIK (0.67) TNIKLMNATP53POLBMAPT
SCHEMBL3398128 0.86 TNIK (0.77) TNIKLMNATP53POLBMAPT
SCHEMBL2367263 0.85 TNIK (0.66) TNIKLMNATP53POLBMAPT
SCHEMBL13333373 0.85 KDM4E (0.47) TNIKKDM4EESR1LMNATP53

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 1/4885L3MBTL1 4224/4885KDM4E 918/4885
US-20100137386-A1 TNIK INHIBITOR AND THE USE TNIK, TNNI3K, TNK1 TNIK 1/4885L3MBTL1 3581/4885KDM4E 946/4885

“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.