SCHEMBL520450

SCHEMBL520450

O=[N+]([O-])c1cccc(N2CCC(N3CCOCC3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
KDM4E B2RXH2 3/20 0.50
MAPT P10636 3/20 0.50
AOC3 Q16853 2/20 0.49
MGLL Q99685 1/20 0.48
RAB9A P51151 2/20 0.47
NPC1 O15118 1/20 0.47
AKR1C3 P42330 1/20 0.46
SLC6A9 P48067 2/20 0.46
SLC6A5 Q9Y345 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
GAA P10253 1/20 0.46
MBTD1 Q05BQ5 1/20 0.46
L3MBTL3 Q96JM7 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 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
SCHEMBL2483393 0.94 AOC3 (0.48) MEN1KMT2AKDM4EMAPTAOC3
SCHEMBL520648 0.93 ENPP2 (0.48) MEN1KMT2AKDM4EMAPTAOC3
SCHEMBL2376819 0.86 MAPT (0.60) MEN1KMT2AKDM4EMAPTMGLL
SCHEMBL12731646 0.85 MEN1 (0.60) MEN1KMT2AKDM4EMAPTRAB9A
SCHEMBL521556 0.85 KMT2A (0.64) MEN1KMT2AKDM4EMAPTAKR1C3
SCHEMBL10127548 0.85 BCL2A1 (0.55) MEN1KMT2AKDM4EMAPTRAB9A
SCHEMBL16934915 0.82 MAPT (0.59) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL17630583 0.82 MAPT (0.52) MEN1KMT2AKDM4EMAPTRAB9A
SCHEMBL31398210 0.81 MAPT (0.49) MEN1KMT2AKDM4EMAPTMGLL
SCHEMBL23123172 0.81 MAPT (0.58) MEN1KMT2AKDM4EMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 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-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 MEN1 3470/4885KMT2A 114/4885KDM4E 192/4885

“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.