SCHEMBL3394626

SCHEMBL3394626

COc1ccc(Nc2nc(C(N)=O)c(NC(=O)c3ccc(N4CCN(C)CC4)cc3)s2)cc1

nearest known ligand 0.76

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TNIK Q9UKE5 15/20 0.76
RAB9A P51151 2/20 0.63
NPC1 O15118 1/20 0.63
F10 P00742 1/20 0.52
MAPT P10636 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
CCNT1 O60563 1/20 0.52
CDK4 P11802 1/20 0.52
CCND1 P24385 1/20 0.52
CDK9 P50750 1/20 0.52
CDK6 Q00534 1/20 0.52
CDK11A Q9UQ88 1/20 0.52

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
SCHEMBL3394625 0.91 TNIK (0.63) TNIKRAB9ANPC1MAPTALDH1A1
SCHEMBL3394909 0.91 TNIK (0.77) TNIKRAB9ANPC1
SCHEMBL13224768 0.91 TNIK (0.67) TNIKRAB9ANPC1MAPT
SCHEMBL3393610 0.88 TNIK (0.74) TNIKMAPTLMNATP53POLB
SCHEMBL3398128 0.87 TNIK (0.77) TNIKNPC1MAPTKMT2ALMNA
SCHEMBL3396682 0.87 TNIK (0.61) TNIKALDH1A1
SCHEMBL3394883 0.87 TNIK (0.62) TNIK
SCHEMBL3392647 0.87 TNIK (0.77) TNIK
SCHEMBL16699022 0.86 TNIK (1.00) TNIK
SCHEMBL3390733 0.86 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 10 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
EP-2364149-B1 TNIK INHIBITOR AND THE USE NAT CANCER CT (JP) 2014-05-07 EP disclosed
CN-102227218-A Tnik inhibitor and use thereof TESSHI YAMADA 2011-10-26 CN 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
WO-2010064111-A1 TNIK INHIBITOR AND THE USE YAMADA TESSHI (JP) 2010-06-10 WO 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 1/4885RAB9A 1982/4885NPC1 2281/4885
US-20100137386-A1 TNIK INHIBITOR AND THE USE TNIK, TNNI3K, TNK1 TNIK 1/4885RAB9A 2454/4885NPC1 1709/4885

“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.