SCHEMBL21711954

SCHEMBL21711954

COc1cc(CNC(=O)c2cc(CNC(=O)O)cc(Cl)n2)ccn1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 4/20 0.50
CDK2 P24941 3/20 0.48
GSK3B P49841 3/20 0.48
MMP13 P45452 3/20 0.47
TRPA1 O75762 1/20 0.45
SLC40A1 Q9NP59 1/20 0.44
NTRK1 P04629 1/20 0.43
ADORA2A P29274 2/20 0.42
MAPT P10636 1/20 0.41
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
EPHX2 P34913 2/20 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
SCHEMBL13734537 0.83 LOX (0.54) WDR5CDK2GSK3BMMP13TRPA1
SCHEMBL21711620 0.83 WDR5 (0.47) WDR5NTRK1ADORA2APOLB
SCHEMBL21711932 0.82 WDR5 (0.45) WDR5MMP13MAPTPOLB
SCHEMBL21712006 0.80 WDR5 (0.75) WDR5NTRK1EPHX2
SCHEMBL21711806 0.78 WDR5 (0.44) WDR5MMP13
SCHEMBL21711705 0.78 WDR5 (0.50) WDR5MMP13
SCHEMBL21712079 0.78 WDR5 (0.43) WDR5MMP13
SCHEMBL21712097 0.78 TSHR (0.52) WDR5EPHX2
SCHEMBL21712086 0.76 HPGD (0.43) WDR5MMP13POLB
SCHEMBL21712106 0.75 WDR5 (0.51) WDR5MMP13

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 1/4885CDK2 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.