SCHEMBL21711956

SCHEMBL21711956

Cc1nc(F)ccc1-c1cc(CNC(=O)O)cc(C(=O)NCc2ccc(=O)[nH]c2)n1

nearest known ligand 0.73

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 18/20 0.73
MMP13 P45452 1/20 0.42
MMP14 P50281 1/20 0.42

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
SCHEMBL21711771 0.85 WDR5 (1.00) WDR5
SCHEMBL21712049 0.84 WDR5 (0.70) WDR5
SCHEMBL21711912 0.84 WDR5 (0.71) WDR5
SCHEMBL21712036 0.83 WDR5 (0.72) WDR5
SCHEMBL21711662 0.82 WDR5 (0.71) WDR5
SCHEMBL21711802 0.80 WDR5 (0.73) WDR5
SCHEMBL21711562 0.80 WDR5 (0.49) WDR5MMP13MMP14
SCHEMBL21712006 0.79 WDR5 (0.75) WDR5
SCHEMBL21732381 0.74 WDR5 (0.70) WDR5
SCHEMBL22501787 0.73 L3MBTL1 (0.45) 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 1/4885MMP13 4510/4885MMP14 3901/4885
US-20200055824-A1 WDR5-MLL1 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 WDR5 1/4885MMP13 4510/4885MMP14 3901/4885

“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.