SCHEMBL21884619

SCHEMBL21884619

COc1cc(-c2c(C#N)ccc(O)c2C(=O)NC2=NCCCN2)ccn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.37
NR4A2 P43354 1/20 0.35
DHODH Q02127 1/20 0.35
USP30 Q70CQ3 2/20 0.34
ADORA2A P29274 1/20 0.34
CYP3A4 P08684 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
KDM5A P29375 1/20 0.34
ITGB3 P05106 1/20 0.34
ITGB1 P05556 1/20 0.34
ITGAV P06756 1/20 0.34
ITGA2B P08514 1/20 0.34
ITGB5 P18084 1/20 0.34
SSTR2 P30874 1/20 0.33
RPS6KA2 Q15349 1/20 0.33
ATR Q13535 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
RUVBL1 Q9Y265 1/20 0.33
CNR1 P21554 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
SCHEMBL21884624 0.95 LRRK2 (0.38) LRRK2NR4A2DHODHUSP30ADORA2A
SCHEMBL21884505 0.86 WNT3A (0.34) USP30ITGB3ITGAV
SCHEMBL21884655 0.84 LRRK2 (0.36) LRRK2NR4A2DHODHUSP30ADORA2A
SCHEMBL21884504 0.84 LRRK2 (0.35) LRRK2NR4A2DHODHUSP30ADORA2A
SCHEMBL21884578 0.82 ITGB3 (0.36) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL23854866 0.82 CYP11B2 (0.36) LRRK2ITGB3ITGB1ITGAVITGA2B
SCHEMBL21884353 0.81 GPR6 (0.32) ITGB3ITGB1ITGAVITGA2BITGB5
SCHEMBL21884402 0.81 WDR5 (0.35)
SCHEMBL21884612 0.80 NISCH (0.43) LRRK2PTGIR
SCHEMBL21884410 0.79 RET (0.35) LRRK2USP30

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 3750/4885NR4A2 2529/4885DHODH 858/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 LRRK2 623/4885NR4A2 3944/4885DHODH 2625/4885

“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.