SCHEMBL3875705

SCHEMBL3875705

COc1cccc(-n2ncc3c(N)ncnc32)c1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.74
KDM4E B2RXH2 4/20 0.72
HSD17B10 Q99714 4/20 0.72
NPC1 O15118 2/20 0.72
RAB9A P51151 2/20 0.72
NPSR1 Q6W5P4 2/20 0.72
HTT P42858 1/20 0.72
BLM P54132 1/20 0.72
ALDH1A1 P00352 4/20 0.66
MEN1 O00255 2/20 0.66
KMT2A Q03164 2/20 0.66
PI4KA P42356 2/20 0.66
PI4K2B Q8TCG2 2/20 0.66
PI4K2A Q9BTU6 2/20 0.66
PI4KB Q9UBF8 2/20 0.66
CYP1A2 P05177 2/20 0.66
EGFR P00533 1/20 0.66
TSHR P16473 1/20 0.66
CYP2C19 P33261 1/20 0.66
GSK3B P49841 9/20 0.60

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
SCHEMBL13790412 0.86 KDM4E (0.57) XDHKDM4EHSD17B10NPC1RAB9A
SCHEMBL13790364 0.86 KDM4E (0.72) XDHKDM4EHSD17B10NPC1RAB9A
SCHEMBL839950 0.84 SLC2A1 (0.60) KDM4EHSD17B10NPC1RAB9ANPSR1
SCHEMBL6206486 0.84 GSK3B (0.60) KDM4EHSD17B10NPC1RAB9ANPSR1
SCHEMBL13790393 0.84 NPC1 (1.00) XDHKDM4EHSD17B10NPC1RAB9A
SCHEMBL3876320 0.84 KDM4E (0.64) XDHKDM4EHSD17B10NPC1RAB9A
SCHEMBL6203816 0.84 MAPT (0.68) KDM4EHSD17B10NPC1RAB9ANPSR1
SCHEMBL3868865 0.83 KDM4E (0.75) XDHKDM4EHSD17B10NPC1RAB9A
SCHEMBL3879802 0.81 KDM4E (0.71) XDHKDM4EHSD17B10NPC1RAB9A
SCHEMBL13790434 0.81 KDM4E (0.71) XDHKDM4EHSD17B10NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1827444-B1 MNK1 OR MNK2 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-05-15 EP claimed
US-20090163520-A1 MNK1 or MNK2 Inhibitors DEVELOGEN AKTIENGESELLSCHAFT (DE) 2009-06-25 US claimed
EP-1827444-A2 MNK1 OR MNK2 INHIBITORS DeveloGen Aktiengesellschaft (DE) 2007-09-05 EP claimed
EP-1746099-A1 Mnk1 or Mnk2 inhibitors DeveloGen Aktiengesellschaft (DE) 2007-01-24 EP claimed
WO-2006066937-A2 MNK1 OR MNK2 INHIBITORS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-06-29 WO claimed
EP-1827444-B1 MNK1 OR MNK2 INHIBITORS BOEHRINGER INGELHEIM INT (DE) 2013-05-15 EP disclosed
US-20090163520-A1 MNK1 or MNK2 Inhibitors DEVELOGEN AKTIENGESELLSCHAFT (DE) 2009-06-25 US disclosed
US-20090163520-A1 MNK1 or MNK2 Inhibitors DEVELOGEN AKTIENGESELLSCHAFT (DE) 2009-06-25 US disclosed
US-20090163520-A1 MNK1 or MNK2 Inhibitors DEVELOGEN AKTIENGESELLSCHAFT (DE) 2009-06-25 US disclosed
EP-1827444-A2 MNK1 OR MNK2 INHIBITORS DeveloGen Aktiengesellschaft (DE) 2007-09-05 EP disclosed
EP-1746099-A1 Mnk1 or Mnk2 inhibitors DeveloGen Aktiengesellschaft (DE) 2007-01-24 EP disclosed
WO-2006066937-A2 MNK1 OR MNK2 INHIBITORS DEVELOGEN AKTIENGESELLSCHAFT (DE) 2006-06-29 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 (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-20090163520-A1 MNK1 or MNK2 Inhibitors NEK9, CMPK1, NEK2 XDH 2018/4885KDM4E 2821/4885HSD17B10 3021/4885

“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.