SCHEMBL21884612

SCHEMBL21884612

COc1cccc(-c2c(C#N)ccc(O)c2C(=O)NC2=NCCN2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.43
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
GLA P06280 2/20 0.40
GAA P10253 2/20 0.40
HPGD P15428 2/20 0.39
MAPT P10636 1/20 0.39
LRRK2 Q5S007 3/20 0.39
PTGIR P43119 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
ADRA1D P25100 1/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
PLAU P00749 1/20 0.38
NAAA Q02083 1/20 0.36
PGR P06401 1/20 0.36
AR P10275 1/20 0.36

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 0.86 NISCH (0.40) NISCHADRA1DAR
SCHEMBL21884603 0.86 WDR5 (0.38) KDM4ELRRK2WDR5
SCHEMBL21884617 0.85 MAPT (0.35) NISCHKDM4EALDH1A1HPGDMAPT
SCHEMBL21884624 0.85 LRRK2 (0.38) LRRK2WDR5
SCHEMBL21884629 0.84 WDR5 (0.40) PTGIRADRA2AADRA2BADRA2CWDR5
SCHEMBL21884665 0.82 ADRA2A (0.39) NISCHKDM4EALDH1A1GAAMAPT
SCHEMBL24066342 0.81 PGR (0.39) NISCHMAPTLRRK2PTGIRADRA2A
SCHEMBL21884602 0.81 ADRA2A (0.35) NISCHKDM4EALDH1A1L3MBTL1HPGD
SCHEMBL24066340 0.81 NISCH (0.35) NISCHLRRK2PTGIRADRA1DWDR5
SCHEMBL21884402 0.80 WDR5 (0.35) KDM4EALDH1A1WDR5

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 1713/4885KDM4E 2932/4885ALDH1A1 1823/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 NISCH 4403/4885KDM4E 4324/4885ALDH1A1 4382/4885

“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.