SCHEMBL3394625

SCHEMBL3394625

COc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3ccc(N4CCOCC4)cc3)s2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 14/20 0.63
LRRK2 Q5S007 1/20 0.57
LCK P06239 1/20 0.54
JAK3 P52333 1/20 0.54
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.52
ALDH1A1 P00352 1/20 0.52
NR4A1 P22736 1/20 0.52
KMT2A Q03164 1/20 0.52
MCL1 Q07820 1/20 0.52
LMNA P02545 1/20 0.52
TP53 P04637 1/20 0.52
POLB P06746 1/20 0.52
CSF1R P07333 1/20 0.51
NPC1 O15118 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
SCHEMBL3394626 0.91 TNIK (0.76) TNIKMAPTRAB9AALDH1A1NR4A1
SCHEMBL3398128 0.87 TNIK (0.77) TNIKMAPTKMT2ALMNATP53
SCHEMBL3396815 0.87 TNIK (0.61) TNIKALDH1A1KMT2A
SCHEMBL13224768 0.87 TNIK (0.67) TNIKMAPTRAB9ANPC1
SCHEMBL3394883 0.87 TNIK (0.62) TNIK
SCHEMBL3394909 0.87 TNIK (0.77) TNIKRAB9ANPC1
SCHEMBL3394602 0.86 TNIK (0.60) TNIKMAPTRAB9AALDH1A1LMNA
SCHEMBL3398691 0.86 TNIK (0.64) TNIK
SCHEMBL16699434 0.85 TNIK (0.82) TNIK
SCHEMBL3394635 0.85 TNIK (0.63) TNIKMAPTLMNATP53POLB

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 1/4885LRRK2 802/4885LCK 160/4885
US-20100137386-A1 TNIK INHIBITOR AND THE USE TNIK, TNNI3K, TNK1 TNIK 1/4885LRRK2 1095/4885LCK 213/4885

“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.