SCHEMBL3868624

SCHEMBL3868624

Nc1ncnc2c1cnn2-c1ccc2[nH]ncc2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
XDH P47989 8/20 0.56
EGFR P00533 4/20 0.56
KDM4E B2RXH2 3/20 0.56
PI4KA P42356 3/20 0.56
PI4K2B Q8TCG2 3/20 0.56
PI4K2A Q9BTU6 3/20 0.56
PI4KB Q9UBF8 3/20 0.56
HSD17B10 Q99714 2/20 0.56
MEN1 O00255 2/20 0.56
ALDH1A1 P00352 2/20 0.56
KMT2A Q03164 2/20 0.56
CYP1A2 P05177 1/20 0.56
TSHR P16473 1/20 0.56
CYP2C19 P33261 1/20 0.56
RAB9A P51151 2/20 0.55
NPC1 O15118 1/20 0.55
HTT P42858 1/20 0.55
BLM P54132 1/20 0.55
NPSR1 Q6W5P4 1/20 0.55
MAPKAPK2 P49137 1/20 0.47

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
SCHEMBL3869387 0.90 XDH (0.56) XDHEGFRKDM4EPI4KAPI4K2B
SCHEMBL13790449 0.82 XDH (0.56) XDHEGFRKDM4EPI4KAPI4K2B
SCHEMBL13790293 0.79 ALDH1A1 (0.69) XDHEGFRKDM4EPI4KAPI4K2B
SCHEMBL3867774 0.75 XDH (0.77) XDHEGFRKDM4EPI4KAPI4K2B
SCHEMBL29862834 0.75 XDH (0.77) XDHEGFRKDM4EPI4KAPI4K2B
SCHEMBL14944448 0.75 XDH (0.60) XDHEGFRKDM4EPI4KAPI4K2B
SCHEMBL13790275 0.75 XDH (0.63) XDHEGFRKDM4EPI4KAPI4K2B
SCHEMBL3868865 0.73 KDM4E (0.75) XDHEGFRKDM4EPI4KAPI4K2B
SCHEMBL3876415 0.73 XDH (0.73) XDHEGFRKDM4EPI4KAPI4K2B
SCHEMBL13790297 0.73 XDH (0.73) XDHEGFRKDM4EPI4KAPI4K2B

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 14 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
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
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 2018/4885EGFR 3638/4885KDM4E 2821/4885

“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.