SCHEMBL3397651

SCHEMBL3397651

CN1CCN(Cc2ccc(C(=O)Nc3sc(Nc4cccnc4)nc3C(N)=O)cc2)CC1

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 6/20 0.73
IKBKE Q14164 12/20 0.67
TBK1 Q9UHD2 12/20 0.67
KIT P10721 1/20 0.60
FLT3 P36888 1/20 0.60

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
SCHEMBL13224948 0.90 TBK1 (0.67) TNIKIKBKETBK1
SCHEMBL3394479 0.90 TNIK (0.73) TNIKIKBKETBK1
SCHEMBL3394644 0.90 TBK1 (0.77) TNIKIKBKETBK1
SCHEMBL13224954 0.89 TNIK (0.74) TNIKIKBKETBK1
Hydrochloric Acid SCHEMBL3398562 0.89 TBK1 (0.66) TNIKIKBKETBK1
SCHEMBL3396852 0.87 TNIK (0.72) TNIKIKBKETBK1FLT3
SCHEMBL16707055 0.85 TNIK (1.00) TNIK
SCHEMBL3392647 0.84 TNIK (0.77) TNIKIKBKETBK1
SCHEMBL13333227 0.84 TNIK (0.53) TNIKIKBKETBK1
SCHEMBL3394491 0.83 TBK1 (0.75) TNIKIKBKETBK1

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 2 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

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 1/4885IKBKE 72/4885TBK1 128/4885

“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.