SCHEMBL21884574

SCHEMBL21884574

COc1ncncc1-c1c(C#N)ccc(O)c1C(=O)NC1=NCCN1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 6/20 0.32
PDE4A P27815 1/20 0.32
PDE4B Q07343 1/20 0.32
PDE4C Q08493 1/20 0.32
PDE4D Q08499 1/20 0.32
PTGIR P43119 1/20 0.32
ATR Q13535 1/20 0.32
GPR6 P46095 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
LRRK2 Q5S007 1/20 0.30

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
SCHEMBL21884579 0.95 ITGB3 (0.32) PDE4APDE4BPDE4CPDE4DATR
SCHEMBL21884462 0.88 GPR6 (0.36) PTGIRGPR6
SCHEMBL21884406 0.86 WDR5 (0.44) WDR5GPR6
SCHEMBL21884369 0.86 WDR5 (0.36) WDR5PTGIRATR
SCHEMBL21884421 0.85 WDR5 (0.35) WDR5PTGIRGPR6
SCHEMBL21884420 0.84 WDR5 (0.33) WDR5PTGIRGPR6LRRK2
SCHEMBL21884480 0.84 WDR5 (0.34) WDR5PTGIR
SCHEMBL24066342 0.82 PGR (0.39) WDR5PTGIRLRRK2
SCHEMBL21884400 0.81 CSNK2A1 (0.35) WDR5ATR
SCHEMBL21884435 0.80 ALDH1A1 (0.36) WDR5GPR6JAK2JAK1TYK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS INC. 2021-12-02 US disclosed
US-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY JNANA THERAPEUTICS INC. 2021-09-30 US disclosed
WO-2020061473-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS JNANA THERAPEUTICS, INC. (US) 2020-03-26 WO 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-20210299070-A1 METHODS OF TREATING CREATINE TRANSPORTER DEFICIENCY SLC19A1, SLC1A5, SLC1A2 WDR5 3394/4885PDE4A 698/4885PDE4B 928/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 WDR5 1567/4885PDE4A 3217/4885PDE4B 3318/4885

“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.