SCHEMBL26083286

SCHEMBL26083286

[O-][NH+](O)c1ccc(NCCNc2ncc(-c3ncc[nH]3)c(-c3ccc(Cl)cc3Cl)n2)nc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 8/20 0.71
CDK1 P06493 3/20 0.63
GSK3A P49840 3/20 0.63
CCNB2 O95067 2/20 0.63
CCNB1 P14635 2/20 0.63
CCNB3 Q8WWL7 2/20 0.63
RPS6KB1 P23443 1/20 0.53
CDK2 P24941 1/20 0.53
LIMK1 P53667 1/20 0.53
TAOK1 Q7L7X3 1/20 0.53
SLK Q9H2G2 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
CSNK1G1 Q9HCP0 1/20 0.53
ADORA1 P30542 3/20 0.34
CRHR1 P34998 1/20 0.32
ROS1 P08922 1/20 0.32
MAPK14 Q16539 2/20 0.32
FLT3 P36888 1/20 0.31
TYRO3 Q06418 1/20 0.31
MERTK Q12866 1/20 0.31

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
SCHEMBL13956701 0.86 GSK3B (0.72) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL29381876 0.83 GSK3B (1.00) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL29357223 0.83 GSK3B (1.00) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL7255869 0.83 GSK3B (0.71) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL5100148 0.83 GSK3B (0.71) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL5100756 0.83 GSK3B (0.68) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL4391839 0.83 GSK3B (1.00) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL19322385 0.83 GSK3B (0.70) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL4395874 0.82 GSK3B (0.70) GSK3BCDK1GSK3ACCNB2CCNB1
SCHEMBL4393974 0.82 GSK3B (0.75) GSK3BCDK1GSK3ACCNB2CCNB1

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-20230313227-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HEREDITARY ANGIOEDEMA ORCHARD THERAPEUTICS EUROPE LTD (GB) 2023-10-05 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-20230313227-A1 COMPOSITIONS AND METHODS FOR TREATING OR PREVENTING HEREDITARY ANGIOEDEMA SERPINH1, SERPINB1, SERPINB6 GSK3B 3744/4885CDK1 3108/4885GSK3A 3659/4885

“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.