SCHEMBL352727

SCHEMBL352727

Cn1[c]nc(NC(=O)OC(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.42
DYRK1A Q13627 1/20 0.42
CYP17A1 P05093 2/20 0.35
ATR Q13535 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LCK P06239 4/20 0.34
MAPK14 Q16539 1/20 0.34
PSMB8 P28062 1/20 0.34
NAMPT P43490 1/20 0.34
SCN9A Q15858 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CNR2 P34972 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
BRD9 Q9H8M2 1/20 0.33

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
SCHEMBL30125665 0.73 GSK3B (0.45) GSK3BDYRK1ACYP17A1ATRCA1
SCHEMBL14926232 0.72 GSK3B (0.44) GSK3BDYRK1ACYP17A1ATRCA1
SCHEMBL9481466 0.70 CA1 (0.38) GSK3BDYRK1ACYP17A1ATRCA1
SCHEMBL13472107 0.70 SMN1; SMN2 (0.54) GSK3BDYRK1ACYP17A1MAPK14KDM4E
SCHEMBL219325 0.70 CYP17A1 (0.39) GSK3BDYRK1ACYP17A1CA1MAPK14
SCHEMBL1986577 0.70 GSK3B (0.43) GSK3BDYRK1ACYP17A1ATRCA1
SCHEMBL1609995 0.69 CYP17A1 (0.40) GSK3BDYRK1ACYP17A1ATRCA1
SCHEMBL18975727 0.69 GSK3B (0.40) GSK3BDYRK1ACA1CA2LCK
SCHEMBL4995738 0.69 CYP17A1 (0.41) GSK3BDYRK1ACYP17A1ATRCA1
SCHEMBL16986928 0.69 GSK3B (0.37) GSK3BDYRK1ACYP17A1ATRCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP claimed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US claimed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 US claimed
EP-2200440-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS Crestone, Inc. (US) 2010-06-30 EP claimed
WO-2009015208-A1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS REPLIDYNE, INC. (US) 2009-01-29 WO claimed
EP-2200440-B1 ANTIBACTERIAL AMIDE AND SULFONAMIDE SUBSTITUTED HETEROCYCLIC UREA COMPOUNDS CRESTONE INC (US) 2017-07-19 EP disclosed
US-8148380-B2 Antibacterial amide and sulfonamide substituted heterocyclic urea compounds CRESTONE, INC. (US) 2012-04-03 US disclosed
US-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds CRESTONE, INC. (US) 2012-01-19 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-20120015941-A1 Antibacterial Amide and Sulfonamide Substituted Heterocyclic Urea Compounds NAAA, AADAC, RPSA GSK3B 4677/4885DYRK1A 3635/4885CYP17A1 4756/4885

“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.