SCHEMBL3396815

SCHEMBL3396815

COc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3ccc(NC(=O)CN4CCOCC4)cc3)s2)cc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 11/20 0.61
KDM4E B2RXH2 1/20 0.57
ALDH1A1 P00352 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.54
HIF1A Q16665 1/20 0.52
EPAS1 Q99814 1/20 0.52
KDR P35968 2/20 0.52
KMT2A Q03164 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 0.92 TNIK (0.60) TNIKKDM4EL3MBTL1KDR
SCHEMBL3394890 0.92 TNIK (0.59) TNIKKDM4EL3MBTL1KDR
SCHEMBL3390733 0.91 TNIK (0.62) TNIKL3MBTL1KDR
SCHEMBL3398691 0.88 TNIK (0.64) TNIK
SCHEMBL3394602 0.88 TNIK (0.60) TNIKKDM4EALDH1A1HIF1AEPAS1
SCHEMBL3394625 0.87 TNIK (0.63) TNIKALDH1A1KMT2A
SCHEMBL13333372 0.86 TNIK (0.49) TNIKKDM4EALDH1A1KDRKMT2A
SCHEMBL3393893 0.84 TNIK (0.67) TNIK
SCHEMBL3398128 0.84 TNIK (0.77) TNIKKMT2A
SCHEMBL2367263 0.83 TNIK (0.66) 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 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 1/4885KDM4E 918/4885ALDH1A1 3970/4885
US-20100137386-A1 TNIK INHIBITOR AND THE USE TNIK, TNNI3K, TNK1 TNIK 1/4885KDM4E 946/4885ALDH1A1 4610/4885

“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.