SCHEMBL21884431

SCHEMBL21884431

N#Cc1ccc(O)c(C(=O)NC2=NCCN2)c1-c1ncccc1F

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.34
HDAC1 Q13547 1/20 0.34
KDM4E B2RXH2 2/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SCN5A Q14524 1/20 0.32
SCN9A Q15858 1/20 0.32
TRPV1 Q8NER1 3/20 0.32
PKM P14618 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCQ Q04759 1/20 0.32
MALT1 Q9UDY8 1/20 0.31
ADRA1D P25100 1/20 0.31
SLC6A3 Q01959 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
WDR5 P61964 1/20 0.31
ADRA2A P08913 3/20 0.31
ADRA2B P18089 3/20 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
SCHEMBL21884363 0.86 NISCH (0.41) GRM4ADRA1DSLC6A3WDR5ADRA2A
SCHEMBL21884396 0.86 LMNA (0.34) RAB9APRKCAPRKCQADRA1DWDR5
SCHEMBL21884640 0.85 NISCH (0.35) ADRA1DSLC6A3WDR5ADRA2AADRA2B
SCHEMBL21884391 0.85 NISCH (0.37) ADRA1DSLC6A3ADRA2AADRA2BADRA2C
SCHEMBL21884636 0.84 NISCH (0.34) ADRA1DSLC6A3WDR5ADRA2AADRA2B
SCHEMBL21884493 0.83 WDR5 (0.34) GRM4ADRA1DSLC6A3WDR5ADRA2A
SCHEMBL21884617 0.82 MAPT (0.35) KDM4ENPC1RAB9AADRA2AADRA2B
SCHEMBL21884463 0.82 NISCH (0.38) ADRA1DSLC6A3WDR5ADRA2AADRA2B
SCHEMBL24066340 0.81 NISCH (0.35) ADRA1DSLC6A3WDR5
SCHEMBL21884373 0.81 NISCH (0.38) ADRA1DSLC6A3ADRA2AADRA2BADRA2C

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 GRM4 657/4885HDAC1 3549/4885KDM4E 2932/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 GRM4 4506/4885HDAC1 1763/4885KDM4E 4324/4885

“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.