SCHEMBL3394786

SCHEMBL3394786

COc1ccc(Nc2ncc(NC(=O)c3ccc(NCCN4CCCC4)cc3)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
TNIK Q9UKE5 2/20 0.50
CSNK2A2 P19784 2/20 0.46
CSNK2A1 P68400 2/20 0.46
MCHR1 Q99705 2/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 2/20 0.44
ALOX15 P16050 1/20 0.44
NR4A1 P22736 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
MCL1 Q07820 1/20 0.44
GLA P06280 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
GRM5 P41594 1/20 0.43
TERT O14746 1/20 0.42
AURKB Q96GD4 1/20 0.42

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
SCHEMBL3396805 0.99 TNIK (0.51) POLBTNIKCSNK2A2CSNK2A1MCHR1
SCHEMBL3394470 0.92 HIF1A (0.52) ALDH1A1MAPTRAB9AKMT2AAURKB
SCHEMBL3397267 0.90 BRD4 (0.52) POLBMCHR1AURKB
SCHEMBL3397141 0.86 CSNK2A2 (0.51) POLBTNIKCSNK2A2CSNK2A1ALDH1A1
SCHEMBL3393212 0.86 TNIK (0.56) POLBTNIKCSNK2A2CSNK2A1ALDH1A1
SCHEMBL3397155 0.84 CSNK2A2 (0.60) POLBCSNK2A2CSNK2A1ALDH1A1ALOX15
SCHEMBL3393897 0.83 TNIK (0.49) POLBTNIKCSNK2A2CSNK2A1ALDH1A1
SCHEMBL3393589 0.82 PKM (0.56) TNIKCSNK2A2CSNK2A1MAPTRAB9A
SCHEMBL3396383 0.81 CSNK2A2 (0.55) POLBCSNK2A2CSNK2A1ALDH1A1MAPT
SCHEMBL3394878 0.81 TNIK (0.75) 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 1 patent. 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

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 POLB 4627/4885TNIK 1/4885CSNK2A2 18/4885

“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.