SCHEMBL3393541

SCHEMBL3393541

CC(=O)Nc1ccc(C(=O)Nc2cnc(Nc3ccccc3)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.56
APBA1 Q02410 1/20 0.56
MAPT P10636 3/20 0.52
POLB P06746 2/20 0.52
RXFP1 Q9HBX9 2/20 0.50
AGER Q15109 1/20 0.50
MAPK13 O15264 1/20 0.49
MAPK12 P53778 1/20 0.49
MAPK11 Q15759 1/20 0.49
MAPK14 Q16539 1/20 0.49
TNIK Q9UKE5 2/20 0.48
MCL1 Q07820 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 2/20 0.47
HTT P42858 1/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47

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
SCHEMBL3398555 0.90 RAB9A (0.55) CACNA1BAPBA1MAPTPOLBAGER
SCHEMBL3398551 0.89 POLB (0.49) CACNA1BAPBA1MAPTPOLBAGER
SCHEMBL3397270 0.89 PTPN11 (0.50) CACNA1BAPBA1POLBAGERMAPK13
SCHEMBL3393963 0.89 NAMPT (0.56) POLBTDP1KMT2AALDH1A1KDM4E
SCHEMBL3393588 0.87 CSNK2A2 (0.55) MAPTPOLBMAPK13MAPK12MAPK11
SCHEMBL3394933 0.84 CSNK2A2 (0.60) MAPTPOLBRXFP1MAPK13MAPK12
SCHEMBL3397155 0.80 CSNK2A2 (0.60) POLBMAPK13MAPK12MAPK11MAPK14
SCHEMBL3390828 0.80 MEN1 (0.56) MAPTPOLBRXFP1MAPK13MAPK12
SCHEMBL3397171 0.77 MAPK13 (0.69) POLBRXFP1MAPK13MAPK12MAPK11
SCHEMBL2366826 0.75 TNIK (0.80) MAPTPOLBTNIK

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 CACNA1B 2155/4885APBA1 3744/4885MAPT 3204/4885

“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.