SCHEMBL20564393

SCHEMBL20564393

CCC(C)[C@@H]1NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@](C)(NC(=O)C(C)C)CCNC(=O)[C@@H](c2ccccc2)NC1=O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 5/20 0.61
KMT2A Q03164 5/20 0.61
RBBP5 Q15291 5/20 0.61
DPY30 Q9C005 5/20 0.61
ASH2L Q9UBL3 5/20 0.61
KRAS P01116 1/20 0.40
RXFP3 Q9NSD7 6/20 0.39
RXFP4 Q8TDU9 6/20 0.39
GNAI1 P63096 1/20 0.39
KLKB1 P03952 1/20 0.36
PLAU P00749 1/20 0.36
NFE2L2 Q16236 1/20 0.36
NNMT P40261 2/20 0.36

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
SCHEMBL23295928 1.00 WDR5 (0.61) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23295919 1.00 WDR5 (0.61) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL20564830 0.94 WDR5 (0.61) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL20563798 0.91 WDR5 (0.71) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23295837 0.91 WDR5 (0.66) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL20564489 0.88 WDR5 (0.75) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL23682876 0.87 WDR5 (0.78) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL15005758 0.87 WDR5 (0.78) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL15004652 0.87 WDR5 (0.78) WDR5KMT2ARBBP5DPY30ASH2L
SCHEMBL20565531 0.86 WDR5 (0.79) WDR5KMT2ARBBP5DPY30ASH2L

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210130401-A1 PEPTIDOMIMETIC INHIBITORS OF THE WDR5-MLL INTERACTION UNIV MICHIGAN REGENTS (US) 2021-05-06 US claimed
WO-2018213228-A1 PEPTIDOMIMETIC INHIBITORS OF THE WDR5-MLL INTERACTION THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2018-11-22 WO claimed
US-20210130401-A1 PEPTIDOMIMETIC INHIBITORS OF THE WDR5-MLL INTERACTION UNIV MICHIGAN REGENTS (US) 2021-05-06 US disclosed
US-20210130401-A1 PEPTIDOMIMETIC INHIBITORS OF THE WDR5-MLL INTERACTION UNIV MICHIGAN REGENTS (US) 2021-05-06 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-20210130401-A1 PEPTIDOMIMETIC INHIBITORS OF THE WDR5-MLL INTERACTION WDR5, MLLT1, WDR1 WDR5 1/4885KMT2A 22/4885RBBP5 9/4885

“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.