SCHEMBL21884463

SCHEMBL21884463

N#Cc1cccc(-c2c(C#N)ccc(O)c2C(=O)NC2=NCCN2)c1F

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.38
PDCD1 Q15116 1/20 0.34
CD274 Q9NZQ7 1/20 0.34
LRRK2 Q5S007 6/20 0.33
ADRA1D P25100 1/20 0.33
SLC6A3 Q01959 1/20 0.33
USP30 Q70CQ3 1/20 0.32
WDR5 P61964 2/20 0.31
ADRA2A P08913 1/20 0.31
ADRA2B P18089 1/20 0.31
ADRA2C P18825 1/20 0.31
GRM5 P41594 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
SCHEMBL21884640 0.93 NISCH (0.35) NISCHADRA1DSLC6A3WDR5ADRA2A
SCHEMBL21884365 0.92 NISCH (0.38) NISCHADRA1DSLC6A3WDR5ADRA2A
SCHEMBL21884373 0.90 NISCH (0.38) NISCHADRA1DSLC6A3ADRA2AADRA2B
SCHEMBL21884363 0.89 NISCH (0.41) NISCHADRA1DSLC6A3USP30WDR5
SCHEMBL21884368 0.89 WDR5 (0.35) NISCHADRA1DSLC6A3WDR5ADRA2A
SCHEMBL21884636 0.89 NISCH (0.34) NISCHCD274LRRK2ADRA1DSLC6A3
SCHEMBL23875072 0.88 NISCH (0.38) NISCHPDCD1CD274ADRA1DSLC6A3
SCHEMBL21884493 0.88 WDR5 (0.34) NISCHPDCD1CD274ADRA1DSLC6A3
SCHEMBL24066340 0.86 NISCH (0.35) NISCHCD274LRRK2ADRA1DSLC6A3
SCHEMBL21884391 0.85 NISCH (0.37) NISCHADRA1DSLC6A3ADRA2AADRA2B

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 NISCH 1713/4885PDCD1 4818/4885CD274 4884/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 NISCH 4403/4885PDCD1 3365/4885CD274 4662/4885

“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.