SCHEMBL21884629

SCHEMBL21884629

COc1ccc(F)c(-c2c(C#N)ccc(O)c2C(=O)NC2=NCCN2)c1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 13/20 0.40
PTGIR P43119 3/20 0.38
ADRA2A P08913 1/20 0.36
ADRA2B P18089 1/20 0.36
ADRA2C P18825 1/20 0.36
S1PR3 Q99500 1/20 0.35

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
SCHEMBL21884427 0.88 NISCH (0.42) WDR5
SCHEMBL21884376 0.88 PDE4B (0.37) WDR5
SCHEMBL21884437 0.88 WDR5 (0.35) WDR5ADRA2AADRA2BADRA2C
SCHEMBL21884432 0.87 TMPRSS4 (0.40) WDR5S1PR3
SCHEMBL24066340 0.85 NISCH (0.35) WDR5PTGIR
SCHEMBL21884363 0.84 NISCH (0.41) WDR5ADRA2AADRA2BADRA2C
SCHEMBL23875079 0.84 CCNT1 (0.42)
SCHEMBL21884612 0.84 NISCH (0.43) WDR5PTGIRADRA2AADRA2BADRA2C
SCHEMBL21884421 0.83 WDR5 (0.35) WDR5PTGIR
SCHEMBL21884406 0.83 WDR5 (0.44) 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 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 3394/4885PTGIR 1768/4885ADRA2A 1172/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 WDR5 1567/4885PTGIR 4584/4885ADRA2A 4422/4885

“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.