SCHEMBL21711987

SCHEMBL21711987

Cc1cnc(F)c(-c2cc(CN)cc(C(=O)NCc3cc(Cl)ccn3)c2)c1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 19/20 0.71
KLKB1 P03952 1/20 0.41

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
SCHEMBL21711707 0.91 WDR5 (0.74) WDR5
SCHEMBL21711533 0.84 WDR5 (1.00) WDR5
SCHEMBL21711666 0.83 WDR5 (0.53) WDR5
SCHEMBL21711902 0.81 WDR5 (0.69) WDR5
SCHEMBL21712054 0.74 WDR5 (0.55) WDR5
SCHEMBL21712095 0.73 WDR5 (0.63) WDR5
SCHEMBL21711985 0.73 WDR5 (0.57) WDR5
SCHEMBL21712015 0.72 WDR5 (0.59) WDR5
SCHEMBL21712040 0.72 WDR5 (0.78) WDR5
SCHEMBL21712027 0.71 WDR5 (0.71) 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 1/4885KLKB1 3933/4885
US-20200055824-A1 WDR5-MLL1 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 WDR5 1/4885KLKB1 3933/4885

“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.