SCHEMBL3876320

SCHEMBL3876320

Nc1ncnc2c1cnn2-c1cccc(OC(F)F)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.64
HSD17B10 Q99714 4/20 0.64
NPC1 O15118 3/20 0.64
RAB9A P51151 3/20 0.64
HTT P42858 3/20 0.64
NPSR1 Q6W5P4 2/20 0.64
BLM P54132 1/20 0.64
ALDH1A1 P00352 4/20 0.61
TSHR P16473 2/20 0.61
MEN1 O00255 2/20 0.61
KMT2A Q03164 2/20 0.61
EGFR P00533 1/20 0.61
CYP1A2 P05177 1/20 0.61
CYP2C19 P33261 1/20 0.61
PI4KA P42356 1/20 0.61
PI4K2B Q8TCG2 1/20 0.61
PI4K2A Q9BTU6 1/20 0.61
PI4KB Q9UBF8 1/20 0.61
XDH P47989 7/20 0.55
GSK3B P49841 5/20 0.45

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
SCHEMBL3875705 0.84 XDH (0.74) KDM4EHSD17B10NPC1RAB9AHTT
SCHEMBL13790364 0.82 KDM4E (0.72) KDM4EHSD17B10NPC1RAB9AHTT
SCHEMBL3869589 0.81 KDM4E (0.71) KDM4EHSD17B10NPC1RAB9AHTT
SCHEMBL3868865 0.80 KDM4E (0.75) KDM4EHSD17B10NPC1RAB9AHTT
SCHEMBL3879802 0.78 KDM4E (0.71) KDM4EHSD17B10NPC1RAB9AHTT
SCHEMBL13790393 0.78 NPC1 (1.00) KDM4EHSD17B10NPC1RAB9AHTT
SCHEMBL13790434 0.78 KDM4E (0.71) KDM4EHSD17B10NPC1RAB9AHTT
SCHEMBL3867527 0.78 KDM4E (0.67) KDM4EHSD17B10NPC1RAB9AHTT
SCHEMBL3878784 0.77 KDM4E (0.70) KDM4EHSD17B10NPC1RAB9AHTT
SCHEMBL2278510 0.77 ALDH1A1 (1.00) KDM4EHSD17B10NPC1RAB9AHTT

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 KDM4E 2821/4885HSD17B10 3021/4885NPC1 2638/4885

“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.