SCHEMBL21884437

SCHEMBL21884437

N#Cc1ccc(O)c(C(=O)NC2=NCCN2)c1-c1cc(F)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 10/20 0.35
ADRA1D P25100 1/20 0.35
SLC6A3 Q01959 1/20 0.35
LRRK2 Q5S007 1/20 0.33
ABL1 P00519 1/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
GRM4 Q14833 1/20 0.32
NISCH Q9Y2I1 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32

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
SCHEMBL21884371 0.94 ABL1 (0.36) WDR5ADRA1DSLC6A3ABL1ADRA2A
SCHEMBL21884376 0.92 PDE4B (0.37) WDR5ADRA1DSLC6A3LRRK2GRM4
SCHEMBL21884432 0.91 TMPRSS4 (0.40) WDR5LRRK2GRM4TAS1R3TAS1R1
SCHEMBL24066323 0.91 WDR5 (0.40) WDR5ADRA1DSLC6A3ADRA2ANISCH
SCHEMBL21884427 0.91 NISCH (0.42) WDR5ADRA1DSLC6A3LRRK2NISCH
SCHEMBL21884363 0.88 NISCH (0.41) WDR5ADRA1DSLC6A3ADRA2AADRA2B
SCHEMBL21884629 0.88 WDR5 (0.40) WDR5ADRA2AADRA2BADRA2C
SCHEMBL23875079 0.88 CCNT1 (0.42)
SCHEMBL21884610 0.85 NISCH (0.40) ADRA1DSLC6A3NISCH
SCHEMBL21884640 0.85 NISCH (0.35) WDR5ADRA1DSLC6A3ADRA2AADRA2B

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 3394/4885ADRA1D 1992/4885SLC6A3 71/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 WDR5 1567/4885ADRA1D 4588/4885SLC6A3 4494/4885

“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.