SCHEMBL3394571

SCHEMBL3394571

COc1ccc(C(=O)Nc2sc(Nc3cccnc3)nc2C(N)=O)cc1

nearest known ligand 0.69

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 12/20 0.69
CDK5 Q00535 2/20 0.63
CDK5R1 Q15078 2/20 0.63
RAB9A P51151 1/20 0.61
POLB P06746 2/20 0.59
KMT2A Q03164 2/20 0.59
MAPT P10636 3/20 0.58
TP53 P04637 2/20 0.58
LMNA P02545 1/20 0.58
KDM4E B2RXH2 1/20 0.54
MEN1 O00255 1/20 0.54
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PKM P14618 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL3392634 0.89 TNIK (0.67) TNIKPOLBMAPTTP53LMNA
SCHEMBL2367192 0.89 TNIK (0.78) TNIKCDK5CDK5R1POLBKMT2A
SCHEMBL3393673 0.88 TNIK (0.67) TNIKCDK5CDK5R1POLBMAPT
SCHEMBL2367268 0.88 TNIK (0.68) TNIKCDK5CDK5R1POLBMAPT
SCHEMBL3398128 0.87 TNIK (0.77) TNIKPOLBKMT2AMAPTTP53
SCHEMBL3393245 0.87 TNIK (0.70) TNIKPOLBMAPTTP53LMNA
SCHEMBL3392639 0.87 TNIK (0.62) TNIKCDK5CDK5R1POLBMAPT
SCHEMBL3394538 0.84 TNIK (0.67) TNIKPOLBMAPTTP53LMNA
SCHEMBL3396792 0.84 TNIK (0.67) TNIKPOLBMAPTTP53LMNA
SCHEMBL2367370 0.84 TNIK (0.69) TNIKPOLBMAPTTP53LMNA

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 1/4885CDK5 511/4885CDK5R1 401/4885
US-20100137386-A1 TNIK INHIBITOR AND THE USE TNIK, TNNI3K, TNK1 TNIK 1/4885CDK5 907/4885CDK5R1 943/4885

“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.