SCHEMBL21884617

SCHEMBL21884617

N#Cc1ccc(O)c(C(=O)NC2=NCCN2)c1-c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.35
UBE2N P61088 1/20 0.35
TSHR P16473 1/20 0.35
ALDH1A1 P00352 3/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
ADRA2A P08913 2/20 0.34
HTR7 P34969 1/20 0.34
ADRA1A P35348 1/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
MAOB P27338 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
ADRA2B P18089 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
SCHEMBL21884578 0.94 ITGB3 (0.36) MAPTUBE2NTSHRALDH1A1SMN1; SMN2
SCHEMBL21884665 0.90 ADRA2A (0.39) MAPTALDH1A1ADRA2AMEN1KMT2A
SCHEMBL21884373 0.88 NISCH (0.38) ALDH1A1ADRA2AHTR7ADRA1ANISCH
SCHEMBL21884603 0.88 WDR5 (0.38) KMT2AKDM4EMAOBACHEFDPS
SCHEMBL21884610 0.88 NISCH (0.40) MAOBNISCHACHEFDPS
SCHEMBL21884363 0.85 NISCH (0.41) LMNAADRA2ANISCHADRA2BADRA2C
SCHEMBL21884666 0.85 XDH (0.34) ADRA2AADRA1AADRA2BADRA2CSMPD3
SCHEMBL21884358 0.85 EPAS1 (0.38) MAPTTSHRALDH1A1SMN1; SMN2LMNA
SCHEMBL21884612 0.85 NISCH (0.43) MAPTALDH1A1SMN1; SMN2ADRA2AADRA1A
SCHEMBL21884667 0.85 LRRK2 (0.36) ADRA2AADRA1AADRA2BADRA2CSMPD3

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 MAPT 2458/4885UBE2N 4756/4885TSHR 2720/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 MAPT 1754/4885UBE2N 2141/4885TSHR 4032/4885

“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.