SCHEMBL24419196

SCHEMBL24419196

O=C(O)c1coc(-c2ccn3nccc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.44
SCN5A Q14524 1/20 0.41
ESR1 P03372 1/20 0.38
KEAP1 Q14145 1/20 0.37
PIK3CD O00329 2/20 0.37
HTT P42858 1/20 0.36
ADH5 P11766 6/20 0.35
KDM5A P29375 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM5B Q9UGL1 2/20 0.35
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
RIPK1 Q13546 1/20 0.34
NAMPT P43490 1/20 0.33
POLB P06746 1/20 0.33
KDM2B Q8NHM5 1/20 0.33
EGLN1 Q9GZT9 1/20 0.32

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
SCHEMBL24419157 0.81 KDR (0.43) SCN5AESR1POLB
SCHEMBL3081703 0.78 ESR1 (0.47) SCN5AESR1HTTKDM5AKDM4C
SCHEMBL24419148 0.76 NR4A2 (0.41) NR4A2KEAP1ADH5KDM5AKDM4C
SCHEMBL3972917 0.72 NR4A2 (0.64) NR4A2KEAP1
SCHEMBL4183564 0.72 NR4A2 (0.58) NR4A2KEAP1KDM5AKDM4CKDM5B
SCHEMBL13212874 0.71 SCN5A (0.59) SCN5APIK3CD
SCHEMBL27808338 0.71 KDM4E (0.58) NR4A2KEAP1KDM5AKDM4CKDM5B
SCHEMBL363026 0.70 KMO (0.59) NR4A2HTT
SCHEMBL24419177 0.70 MAP4K4 (0.43) NR4A2EGLN1
SCHEMBL24419353 0.70 NR4A2 (0.38) NR4A2HTTADH5KDM5AKDM4C

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
EP-3931191-B1 PYRAZOLOPYRIDINE DERIVATIVES AS INHIBITORS OF PASK GALAPAGOS NV (BE) 2023-10-04 EP disclosed
US-20220144823-A1 PYRAZOLOPYRIDINE DERIVATIVES AS INHIBITORS OF PASK GALAPAGOS NV (BE) 2022-05-12 US disclosed
US-20220144823-A1 PYRAZOLOPYRIDINE DERIVATIVES AS INHIBITORS OF PASK GALAPAGOS NV (BE) 2022-05-12 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-20220144823-A1 PYRAZOLOPYRIDINE DERIVATIVES AS INHIBITORS OF PASK PDXK, PASK, NADK NR4A2 1114/4885SCN5A 1122/4885ESR1 948/4885

“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.