SCHEMBL21884420

SCHEMBL21884420

COc1nccc(-c2c(C#N)ccc(O)c2C(=O)NC2=NCCN2)c1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 11/20 0.33
GPR6 P46095 2/20 0.33
PTGIR P43119 1/20 0.32
PDCD1LG2 Q9BQ51 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
GPBAR1 Q8TDU6 1/20 0.32
LMNA P02545 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
HRH2 P25021 1/20 0.31
CYP2C19 P33261 1/20 0.31
ADRA1A P35348 1/20 0.31
NISCH Q9Y2I1 1/20 0.31
ACACB O00763 1/20 0.31
ALOX15 P16050 1/20 0.31
BLM P54132 1/20 0.31
PMP22 Q01453 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL21884353 0.95 GPR6 (0.32) GPR6GPBAR1ACACB
SCHEMBL21884421 0.90 WDR5 (0.35) WDR5GPR6PTGIR
SCHEMBL21884462 0.88 GPR6 (0.36) GPR6PTGIRPDCD1LG2CD274NISCH
SCHEMBL21884366 0.86 JAK2 (0.35) WDR5PDCD1LG2CD274LMNAADRA2A
SCHEMBL21884574 0.84 WDR5 (0.32) WDR5GPR6PTGIRLRRK2
SCHEMBL23875072 0.83 NISCH (0.38) WDR5CD274LMNAHTR1AADRA2A
SCHEMBL21884602 0.83 ADRA2A (0.35) WDR5PTGIRPDCD1LG2CD274LMNA
SCHEMBL21884406 0.83 WDR5 (0.44) WDR5GPR6GPBAR1
SCHEMBL21884480 0.82 WDR5 (0.34) WDR5PTGIRLMNAADRA2AADRA2B
SCHEMBL24066342 0.82 PGR (0.39) WDR5PTGIRLMNAADRA2AADRA2B

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 3394/4885GPR6 1334/4885PTGIR 1768/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 WDR5 1567/4885GPR6 4070/4885PTGIR 4584/4885

“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.