SCHEMBL21884624

SCHEMBL21884624

COc1cc(-c2c(C#N)ccc(O)c2C(=O)NC2=NCCN2)ccn1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 4/20 0.38
USP30 Q70CQ3 2/20 0.35
WDR5 P61964 7/20 0.35
ADORA2A P29274 1/20 0.35
CYP3A4 P08684 1/20 0.35
AAK1 Q2M2I8 1/20 0.35
KDM5A P29375 1/20 0.35
NR4A2 P43354 1/20 0.34
DHODH Q02127 1/20 0.34
ATR Q13535 1/20 0.34
SSTR2 P30874 1/20 0.34
MAPKAPK2 P49137 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
SCHEMBL21884619 0.95 LRRK2 (0.37) LRRK2USP30ADORA2ACYP3A4AAK1
SCHEMBL21884655 0.86 LRRK2 (0.36) LRRK2USP30ADORA2ACYP3A4AAK1
SCHEMBL21884504 0.86 LRRK2 (0.35) LRRK2USP30ADORA2ACYP3A4AAK1
SCHEMBL21884402 0.86 WDR5 (0.35) WDR5
SCHEMBL21884612 0.85 NISCH (0.43) LRRK2WDR5
SCHEMBL21884617 0.81 MAPT (0.35) CYP3A4
SCHEMBL21884421 0.81 WDR5 (0.35) WDR5
SCHEMBL21884505 0.81 WNT3A (0.34) USP30
SCHEMBL21884610 0.80 NISCH (0.40) DHODH
SCHEMBL21884603 0.80 WDR5 (0.38) LRRK2WDR5

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 LRRK2 3750/4885USP30 4348/4885WDR5 3394/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 LRRK2 623/4885USP30 1643/4885WDR5 1567/4885

“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.