SCHEMBL21712005

SCHEMBL21712005

COc1cc(CNC(=O)c2cc(C=O)cc(-c3ccc(F)cc3C)c2N)cc(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 18/20 0.64
EGLN1 Q9GZT9 1/20 0.41
KDM4E B2RXH2 1/20 0.40
USP2 O75604 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL21712024 0.92 WDR5 (0.63) WDR5EGLN1KDM4EUSP2ALDH1A1
SCHEMBL22750322 0.87 WDR5 (0.72) WDR5EGLN1KDM4EUSP2ALDH1A1
SCHEMBL21711926 0.87 WDR5 (0.67) WDR5EGLN1KDM4EUSP2ALDH1A1
SCHEMBL21711891 0.87 WDR5 (0.72) WDR5EGLN1KDM4EUSP2ALDH1A1
SCHEMBL29767292 0.83 WDR5 (0.66) WDR5
SCHEMBL21711831 0.79 WDR5 (1.00) WDR5
SCHEMBL21711709 0.78 WDR5 (1.00) WDR5
SCHEMBL21711617 0.75 WDR5 (0.72) WDR5
SCHEMBL21711703 0.74 WDR5 (0.69) WDR5
SCHEMBL21711870 0.74 WDR5 (0.73) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1/4885EGLN1 249/4885KDM4E 68/4885
US-20200055824-A1 WDR5-MLL1 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 WDR5 1/4885EGLN1 249/4885KDM4E 68/4885

“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.