SCHEMBL520648

SCHEMBL520648

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

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.48
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 3/20 0.47
AOC3 Q16853 2/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MGLL Q99685 1/20 0.43
SLC6A9 P48067 2/20 0.42
SLC6A5 Q9Y345 2/20 0.42
PGR P06401 1/20 0.42
AR P10275 1/20 0.42

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
SCHEMBL520450 0.93 MEN1 (0.50) KDM4EALDH1A1AOC3MEN1KMT2A
SCHEMBL2483393 0.88 AOC3 (0.48) KDM4EALDH1A1AOC3MEN1KMT2A
SCHEMBL2376819 0.80 MAPT (0.60) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL12731646 0.79 MEN1 (0.60) ENPP2KDM4EALDH1A1MEN1KMT2A
SCHEMBL521556 0.79 KMT2A (0.64) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL16934915 0.79 MAPT (0.59) ENPP2KDM4EALDH1A1MEN1KMT2A
SCHEMBL10127548 0.79 BCL2A1 (0.55) KDM4EALDH1A1MEN1KMT2AMAPT
SCHEMBL24267643 0.77 ALDH1A1 (0.57) ALDH1A1KMT2AMAPTSLC6A9SLC6A5
SCHEMBL17630583 0.76 MAPT (0.52) ENPP2KDM4EALDH1A1MEN1KMT2A
SCHEMBL31398210 0.75 MAPT (0.49) KDM4EALDH1A1MEN1KMT2AMAPT

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
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 ENPP2 399/4885KDM4E 192/4885ALDH1A1 779/4885

“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.