SCHEMBL3390733

SCHEMBL3390733

COc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3ccc(NC(=O)CN4CCN(C)CC4)cc3)s2)cc1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 16/20 0.62
L3MBTL1 Q9Y468 1/20 0.54
ESR1 P03372 2/20 0.51
PDGFRB P09619 2/20 0.51
KDR P35968 2/20 0.51
IKBKE Q14164 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
SCHEMBL3392252 0.93 TNIK (0.60) TNIKL3MBTL1ESR1KDR
SCHEMBL3394890 0.92 TNIK (0.59) TNIKL3MBTL1ESR1KDR
SCHEMBL3396815 0.91 TNIK (0.61) TNIKL3MBTL1KDR
SCHEMBL3392647 0.89 TNIK (0.77) TNIKIKBKE
SCHEMBL3394626 0.86 TNIK (0.76) TNIK
SCHEMBL3393893 0.85 TNIK (0.67) TNIK
SCHEMBL3398128 0.84 TNIK (0.77) TNIK
SCHEMBL2367263 0.84 TNIK (0.66) TNIK
SCHEMBL3394909 0.82 TNIK (0.77) TNIK
SCHEMBL13224768 0.82 TNIK (0.67) TNIKL3MBTL1

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 4224/4885ESR1 1966/4885
US-20100137386-A1 TNIK INHIBITOR AND THE USE TNIK, TNNI3K, TNK1 TNIK 1/4885L3MBTL1 3581/4885ESR1 3015/4885

“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.