SCHEMBL20569593

SCHEMBL20569593

COC(=O)c1cc2scc(C#N)c2[nH]1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.69
XDH P47989 3/20 0.40
CHEK1 O14757 1/20 0.40
MET P08581 1/20 0.40
GSK3B P49841 1/20 0.40
LIMK1 P53667 1/20 0.40
DYRK1A Q13627 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK1B Q9Y463 1/20 0.40
CYP1A2 P05177 1/20 0.40
MAPT P10636 5/20 0.39
KDM4E B2RXH2 4/20 0.39
RXFP1 Q9HBX9 3/20 0.39
GAA P10253 3/20 0.37
GLA P06280 2/20 0.37
HRH4 Q9H3N8 1/20 0.36
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALDH1A1 P00352 2/20 0.35
PABPC1 P11940 1/20 0.35

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
SCHEMBL1847169 0.79 XDH (0.54) DAOXDHCHEK1METGSK3B
SCHEMBL5629360 0.78 PYGL (0.47) DAOXDHCHEK1METGSK3B
SCHEMBL20568672 0.77 CHEK1 (0.51) DAOXDHCHEK1METGSK3B
SCHEMBL20569393 0.75 CYP1A2 (0.41) DAOXDHCHEK1METGSK3B
SCHEMBL23351249 0.74 XDH (0.40) DAOXDHCHEK1METGSK3B
SCHEMBL20568731 0.74 CHEK1 (0.49) DAOXDHCHEK1METGSK3B
SCHEMBL20568352 0.73 GPR35 (0.43) DAOXDHCHEK1METGSK3B
SCHEMBL28444408 0.72 LMNA (0.50) XDHCHEK1METGSK3BLIMK1
SCHEMBL26670773 0.71 GAA (0.46) XDHCYP1A2MAPTKDM4ERXFP1
SCHEMBL22620736 0.69 IDO1 (0.45) XDHCYP1A2MAPTKDM4ERXFP1

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
US-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US disclosed
US-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2021-05-13 US disclosed
EP-3630777-A1 INHIBITORS OF METALLO-BETA-LACTAMASES Oxford University Innovation Limited (GB) 2020-04-08 EP disclosed
WO-2018215800-A1 INHIBITORS OF METALLO-BETA-LACTAMASES OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2018-11-29 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-20210137886-A1 INHIBITORS OF METALLO-BETA-LACTAMASES MGAM, GAA, LCT DAO 108/4885XDH 132/4885CHEK1 3721/4885

“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.