SCHEMBL21884370

SCHEMBL21884370

Cc1cc(F)cc(-c2c(C#N)ccc(O)c2C(=O)NC2=NCCN2)c1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 2/20 0.38
WDR5 P61964 11/20 0.36
ADRA1D P25100 2/20 0.34
SLC6A3 Q01959 1/20 0.34
ADRA2A P08913 1/20 0.32
ADRA2B P18089 1/20 0.32
ADRA2C P18825 1/20 0.32
ADRA1A P35348 1/20 0.32
ADRA1B P35368 1/20 0.32
SSTR2 P30874 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
SCHEMBL21884610 0.87 NISCH (0.40) ADRA1DSLC6A3
SCHEMBL21884427 0.83 NISCH (0.42) LRRK2WDR5ADRA1DSLC6A3
SCHEMBL21884371 0.83 ABL1 (0.36) WDR5ADRA1DSLC6A3ADRA2AADRA2B
SCHEMBL21884617 0.82 MAPT (0.35) ADRA2AADRA2BADRA2CADRA1A
SCHEMBL21884376 0.81 PDE4B (0.37) LRRK2WDR5ADRA1DSLC6A3
SCHEMBL21884437 0.81 WDR5 (0.35) LRRK2WDR5ADRA1DSLC6A3ADRA2A
SCHEMBL21884624 0.81 LRRK2 (0.38) LRRK2WDR5SSTR2
SCHEMBL23854866 0.81 CYP11B2 (0.36) LRRK2
SCHEMBL24066323 0.80 WDR5 (0.40) WDR5ADRA1DSLC6A3ADRA2A
SCHEMBL24066318 0.80 WDR5 (0.36) WDR5ADRA1DADRA2AADRA2BADRA2C

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 5 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-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
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 LRRK2 3750/4885WDR5 3394/4885ADRA1D 1992/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 LRRK2 623/4885WDR5 1567/4885ADRA1D 4588/4885

“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.