SCHEMBL3936614

SCHEMBL3936614

CSc1cccc(Cc2sc(NC(C)=O)nc2/C=C/c2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.42
CSNK2A2 P19784 1/20 0.41
CSNK2B P67870 1/20 0.41
CSNK2A1 P68400 1/20 0.41
MAPT P10636 8/20 0.40
MEN1 O00255 7/20 0.40
KMT2A Q03164 7/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
POLB P06746 2/20 0.39
PLTP P55058 3/20 0.38
RAB9A P51151 1/20 0.38
AOC3 Q16853 1/20 0.38
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
PTPN1 P18031 1/20 0.37
CDC25B P30305 1/20 0.37
DUSP3 P51452 1/20 0.37
MCL1 Q07820 1/20 0.36

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
SCHEMBL3934876 1.00 DYRK1A (0.42) DYRK1ACSNK2A2CSNK2BCSNK2A1MAPT
SCHEMBL3934883 1.00 DYRK1A (0.42) DYRK1ACSNK2A2CSNK2BCSNK2A1MAPT
SCHEMBL3934530 0.89 AOC3 (0.47) DYRK1ACSNK2A2CSNK2BCSNK2A1MAPT
SCHEMBL3931382 0.89 AOC3 (0.47) DYRK1ACSNK2A2CSNK2BCSNK2A1MAPT
SCHEMBL3931378 0.89 AOC3 (0.47) DYRK1ACSNK2A2CSNK2BCSNK2A1MAPT
SCHEMBL3934386 0.87 CSNK2A2 (0.47) DYRK1ACSNK2A2CSNK2BCSNK2A1MAPT
SCHEMBL3934393 0.87 CSNK2A2 (0.47) DYRK1ACSNK2A2CSNK2BCSNK2A1MAPT
SCHEMBL3934206 0.85 AOC3 (0.50) DYRK1ACSNK2A2CSNK2BCSNK2A1MAPT
SCHEMBL3934201 0.85 AOC3 (0.50) DYRK1ACSNK2A2CSNK2BCSNK2A1MAPT
SCHEMBL4873153 0.82 CSNK2A2 (0.42) DYRK1ACSNK2A2CSNK2BCSNK2A1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1786792-B1 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC (JP) 2009-04-08 EP disclosed
US-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity ASTELLAS PHARMA INC. (JP) 2007-11-01 US disclosed
EP-1786792-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY Astellas Pharma Inc. (JP) 2007-05-23 EP disclosed
WO-2006011631-A2 THIAZOLE DERIVATIVES HAVING VAP-1 INHIBITORY ACTIVITY ASTELLAS PHARMA INC. (JP) 2006-02-02 WO 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-20070254931-A1 Thiazole Derivatives Having Vap-1 Inhibitory Activity VCAM1, VAPB, VAPA DYRK1A 4490/4885CSNK2A2 3888/4885CSNK2B 3900/4885

“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.