SCHEMBL19997616

SCHEMBL19997616

COc1cccc(NC(=O)NCc2cccc(-c3cn4c(n3)CCC4)c2)c1

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 20/20 0.75

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
SCHEMBL19997614 0.88 WDR5 (0.75) WDR5
SCHEMBL19997600 0.86 WDR5 (1.00) WDR5
SCHEMBL19997672 0.86 WDR5 (0.78) WDR5
SCHEMBL19997621 0.84 WDR5 (0.74) WDR5
SCHEMBL19998146 0.84 WDR5 (0.75) WDR5
SCHEMBL19997634 0.84 WDR5 (0.66) WDR5
SCHEMBL19997622 0.84 WDR5 (0.66) WDR5
SCHEMBL19997605 0.83 WDR5 (1.00) WDR5
SCHEMBL19998125 0.82 WDR5 (0.81) WDR5
SCHEMBL19997712 0.80 WDR5 (1.00) 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-20180086767-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2018-03-29 US disclosed
US-20180086767-A1 WDR5 INHIBITORS AND MODULATORS VANDERBILT UNIVERSITY 2018-03-29 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 (1 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-20180086767-A1 WDR5 INHIBITORS AND MODULATORS WDR5, WDR1, WDR77 WDR5 1/4885

“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.