SCHEMBL21884416

SCHEMBL21884416

CN(C)c1nccc(-c2ccc(O)c(C(=O)NC(=N)N)c2)n1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.42
DYRK1A Q13627 9/20 0.40
AAK1 Q2M2I8 1/20 0.36
CHUK O15111 1/20 0.36
ENPP2 Q13822 2/20 0.35
JAK2 O60674 1/20 0.35
FLT3 P36888 1/20 0.35
CLK1 P49759 5/20 0.35
MCL1 Q07820 1/20 0.34
AKT1 P31749 1/20 0.34
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
F2 P00734 1/20 0.33
F10 P00742 1/20 0.33
PLAU P00749 1/20 0.33
PLAT P00750 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
SCHEMBL21884786 0.83 PDPK1 (0.43) PDPK1DYRK1AAAK1CHUKENPP2
SCHEMBL21884646 0.79 CHUK (0.45) DYRK1ACHUKJAK2CLK1PIK3CA
SCHEMBL21884657 0.77 P2RX7 (0.44) DYRK1ACHUKCLK1F10
SCHEMBL21884442 0.77 PIK3CB (0.49) DYRK1ACHUKMCL1F2F10
SCHEMBL21884377 0.74 CHUK (0.43) AAK1CHUKMCL1F2F10
SCHEMBL21884471 0.74 CHUK (0.66) CHUKMCL1F2F10
SCHEMBL21884408 0.70 MKNK1 (0.58) CHUKF10
SCHEMBL8445926 0.67 PLAU (0.48) F2F10PLAUPLAT
SCHEMBL23875335 0.66 P2RX1 (0.57) CHUKFLT3
SCHEMBL21884644 0.66 PPIA (0.50) F2F10PLAUPLAT

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 5 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-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
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 PDPK1 3652/4885DYRK1A 4557/4885AAK1 3808/4885
US-20210371403-A1 SMALL MOLECULES TARGETING MUTANT MAMMALIAN PROTEINS SNRPE, G3BP1, G3BP2 PDPK1 2519/4885DYRK1A 4497/4885AAK1 2449/4885

“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.