SCHEMBL3396682

SCHEMBL3396682

COc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3ccc(N4CCN(C)CC4)c(N)c3)s2)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 19/20 0.61
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HSD17B10 Q99714 1/20 0.48

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
SCHEMBL3394626 0.87 TNIK (0.76) TNIKALDH1A1
SCHEMBL2366934 0.85 TNIK (0.71) TNIK
SCHEMBL3398527 0.84 TNIK (0.56) TNIK
SCHEMBL3397711 0.84 TNIK (0.58) TNIKKDM4EALDH1A1HSD17B10
SCHEMBL2367212 0.83 TNIK (0.76) TNIK
SCHEMBL3390727 0.83 TNIK (0.68) TNIK
SCHEMBL2400599 0.82 TNIK (0.67) TNIK
SCHEMBL3398128 0.82 TNIK (0.77) TNIK
SCHEMBL3392647 0.81 TNIK (0.77) TNIK
SCHEMBL3390733 0.81 TNIK (0.62) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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

“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.