SCHEMBL21884462

SCHEMBL21884462

COc1ncccc1-c1c(C#N)ccc(O)c1C(=O)NC1=NCCN1

nearest known ligand 0.36

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GPR6 P46095 12/20 0.36
HDAC6 Q9UBN7 1/20 0.35
PDCD1LG2 Q9BQ51 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
NISCH Q9Y2I1 1/20 0.33
AR P10275 1/20 0.33
SCN9A Q15858 2/20 0.33
SCN5A Q14524 1/20 0.33
PTGIR P43119 1/20 0.33

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
SCHEMBL21884421 0.88 WDR5 (0.35) GPR6ARPTGIR
SCHEMBL21884391 0.88 NISCH (0.37) NISCHAR
SCHEMBL21884574 0.88 WDR5 (0.32) GPR6PTGIR
SCHEMBL21884420 0.88 WDR5 (0.33) GPR6PDCD1LG2CD274NISCHPTGIR
SCHEMBL24066342 0.87 PGR (0.39) NISCHARPTGIR
SCHEMBL21884406 0.86 WDR5 (0.44) GPR6SCN9A
SCHEMBL21884396 0.85 LMNA (0.34) GPR6PTGIR
SCHEMBL21884602 0.85 ADRA2A (0.35) PDCD1LG2CD274NISCHPTGIR
SCHEMBL24066340 0.85 NISCH (0.35) PDCD1LG2CD274NISCHPTGIR
SCHEMBL21884373 0.85 NISCH (0.38) NISCH

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 GPR6 1334/4885HDAC6 3231/4885PDCD1LG2 4868/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 GPR6 4070/4885HDAC6 363/4885PDCD1LG2 3541/4885

“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.