SCHEMBL21672033

SCHEMBL21672033

CC(=O)Nc1ccc(-c2ccnc(N)c2)nc1Cl

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.47
IRAK4 Q9NWZ3 1/20 0.47
ABL1 P00519 4/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
PRNP P04156 1/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
MKNK1 Q9BUB5 2/20 0.40
MKNK2 Q9HBH9 2/20 0.40
CIT O14578 2/20 0.39
JAK2 O60674 2/20 0.39
DAPK3 O43293 1/20 0.39
DAPK1 P53355 1/20 0.39
MAP2K1 Q02750 1/20 0.39
PKN2 Q16513 1/20 0.39
AAK1 Q2M2I8 1/20 0.39
TLK2 Q86UE8 1/20 0.39
HIPK4 Q8NE63 1/20 0.39

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
SCHEMBL21672316 0.87 POLB (0.42) ABL1KDM4EMEN1PRNPPOLB
SCHEMBL21672032 0.81 MAP2K3 (0.50) IRAK4ABL1KDM4EMEN1PRNP
SCHEMBL29393738 0.81 MAP2K3 (0.50) IRAK4ABL1KDM4EMEN1PRNP
SCHEMBL21672319 0.80 PIK3C3 (0.41) KCNH2IRAK4ABL1MKNK1MKNK2
SCHEMBL21672291 0.77 IRAK4 (0.53) KCNH2IRAK4MKNK1MKNK2CIT
SCHEMBL21672296 0.76 SYK (0.45) IRAK4ABL1KDM4EMEN1PRNP
SCHEMBL21672562 0.72 PRKCI (0.45) CITJAK2PRKACAROCK1TYK2
SCHEMBL29393217 0.72 PRKCI (0.45) CITJAK2PRKACAROCK1TYK2
SCHEMBL5100980 0.69 KDM4E (0.46) KDM4EMEN1POLBKMT2AMAPT
SCHEMBL9651921 0.68 PGK1 (0.43) KDM4EPOLBKMT2AMAPTCA1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA 2020-02-06 US 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 (1 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-20200039989-A1 SMALL MOLECULE INHIBITORS OF DYRK/CLK AND USES THEREOF CLK2, CLK1, CLK3 KCNH2 1399/4885IRAK4 282/4885ABL1 1163/4885

“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.