SCHEMBL21711545

SCHEMBL21711545

COc1ccc(CNC(=O)c2cc(CNC(=N)N)cc(-c3ccnc(C)c3)c2)cc1Cl

nearest known ligand 0.79

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 18/20 0.79
CDK2 P24941 1/20 0.51
GSK3B P49841 1/20 0.51
KDM1A O60341 1/20 0.50
HDAC1 Q13547 1/20 0.50

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
SCHEMBL21712101 0.91 WDR5 (0.78) WDR5CDK2GSK3BKDM1AHDAC1
SCHEMBL21711937 0.90 WDR5 (0.79) WDR5CDK2GSK3BKDM1AHDAC1
SCHEMBL21711782 0.85 WDR5 (0.78) WDR5
SCHEMBL21711808 0.84 WDR5 (0.73) WDR5HDAC1
SCHEMBL21712092 0.84 WDR5 (0.75) WDR5
SCHEMBL21711994 0.83 WDR5 (0.70) WDR5HDAC1
SCHEMBL21711784 0.83 WDR5 (0.71) WDR5
SCHEMBL21711830 0.82 WDR5 (0.76) WDR5
SCHEMBL21711820 0.82 WDR5 (0.76) WDR5
SCHEMBL21711859 0.81 WDR5 (0.80) WDR5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200055824-A1 WDR5-MLL1 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-02-20 US claimed
US-10807959-B2 WDR5-MLL1 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-10-20 US disclosed
US-10807959-B2 WDR5-MLL1 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-10-20 US disclosed
US-20200055824-A1 WDR5-MLL1 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-02-20 US disclosed
US-20200055824-A1 WDR5-MLL1 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2020-02-20 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 (2 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-10807959-B2 WDR5-MLL1 inhibitors and modulators WDR5, WDR1, WDR3 WDR5 1/4885CDK2 191/4885GSK3B 2395/4885
US-20200055824-A1 WDR5-MLL1 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 WDR5 1/4885CDK2 191/4885GSK3B 2395/4885

“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.