SCHEMBL21711960

SCHEMBL21711960

COc1cc(OC)cc(C(C)NC(=O)c2ccnc(CN)c2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 8/20 0.64
ROCK1 Q13464 10/20 0.49
ROCK2 O75116 10/20 0.49
PRKACA P17612 4/20 0.49
PRKG1 Q13976 4/20 0.49
CYP2C9 P11712 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2D6 P10635 2/20 0.49
PRKACG P22612 2/20 0.49
PRKACB P22694 2/20 0.49
AKT1 P31749 2/20 0.49
GSK3A P49840 2/20 0.47
GSK3B P49841 2/20 0.47
PRKX P51817 2/20 0.47
PRKCQ Q04759 2/20 0.47
MST1R Q04912 1/20 0.47
CHEK1 O14757 1/20 0.47
RPS6KA5 O75582 1/20 0.47
PRKCG P05129 1/20 0.47
CDK1 P06493 1/20 0.47

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
SCHEMBL21712038 0.83 WDR5 (0.61) WDR5ROCK1ROCK2PRKACAPRKG1
SCHEMBL21711614 0.79 WDR5 (0.64) WDR5ROCK1ROCK2PRKACAPRKG1
SCHEMBL21711797 0.79 WDR5 (1.00) WDR5
SCHEMBL21711629 0.79 WDR5 (1.00) WDR5
SCHEMBL5213926 0.73 ROCK1 (0.68) ROCK1ROCK2PRKACAPRKG1CYP2C9
SCHEMBL21712115 0.73 WDR5 (0.66) WDR5ROCK1ROCK2PRKACAPRKG1
SCHEMBL4450004 0.72 KDM4E (0.55) ROCK1CYP3A4
SCHEMBL21711721 0.72 WDR5 (0.64) WDR5ROCK1ROCK2PRKACAPRKG1
Hydrochloric Acid SCHEMBL16929773 0.71 KDM4E (0.54) ROCK1CYP3A4
Hydrochloric Acid SCHEMBL28377156 0.71 KDM4E (0.54) ROCK1CYP3A4

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-10807959-B2 WDR5-MLL1 inhibitors and modulators VANDERBILT UNIVERSITY (US) 2020-10-20 US disclosed
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
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 1/4885ROCK1 1702/4885ROCK2 2624/4885
US-20200055824-A1 WDR5-MLL1 INHIBITORS AND MODULATORS WDR5, WDR1, WDR3 WDR5 1/4885ROCK1 1702/4885ROCK2 2624/4885

“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.