SCHEMBL21884573

SCHEMBL21884573

N#Cc1ccc(O)c(C(=O)NC2=NCCN2)c1Oc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 2/20 0.35
ADRA2B P18089 2/20 0.35
ADRA2C P18825 2/20 0.35
NISCH Q9Y2I1 1/20 0.34
KDM4E B2RXH2 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
ATM Q13315 1/20 0.33
PTGIR P43119 3/20 0.32
LRRK2 Q5S007 1/20 0.32
PLA2G7 Q13093 1/20 0.32
PNLIP P16233 1/20 0.31
MAPK14 Q16539 2/20 0.31
CYP3A4 P08684 2/20 0.31
FNTA P49354 1/20 0.31
FNTB P49356 1/20 0.31
PGGT1B P53609 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 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
SCHEMBL21884583 0.84 EZH2 (0.35) KDM4EHSD17B10NPC1RAB9AATM
SCHEMBL21884617 0.82 MAPT (0.35) ADRA2AADRA2BADRA2CNISCHKDM4E
SCHEMBL21884373 0.79 NISCH (0.38) ADRA2AADRA2BADRA2CNISCHHSD17B10
SCHEMBL21884612 0.77 NISCH (0.43) ADRA2AADRA2BADRA2CNISCHKDM4E
SCHEMBL21884363 0.77 NISCH (0.41) ADRA2AADRA2BADRA2CNISCHWDR5
SCHEMBL21884358 0.77 EPAS1 (0.38) ADRA2AADRA2BADRA2CNISCHKDM4E
SCHEMBL24066342 0.77 PGR (0.39) ADRA2AADRA2BADRA2CNISCHPTGIR
SCHEMBL21884578 0.76 ITGB3 (0.36) NISCHKDM4ENPC1RAB9A
SCHEMBL21884371 0.75 ABL1 (0.36) ADRA2AADRA2BADRA2CNISCHWDR5
SCHEMBL24066340 0.74 NISCH (0.35) NISCHPTGIRLRRK2WDR5

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 ADRA2A 1172/4885ADRA2B 1600/4885ADRA2C 1463/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 ADRA2A 4422/4885ADRA2B 4546/4885ADRA2C 4322/4885

“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.