SCHEMBL520932

SCHEMBL520932

O=[N+]([O-])c1ccc2c(c1)ncn2CCN1CCOCC1

nearest known ligand 0.60

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 3/20 0.60
CTSB P07858 1/20 0.51
MAPT P10636 5/20 0.48
POLB P06746 2/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
ALDH1A1 P00352 5/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KCNJ1 P48048 1/20 0.47
BRD4 O60885 1/20 0.47
KCNH2 Q12809 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL22449401 0.94 PKM (0.57) PKMCTSBMAPTPOLBALDH1A1
SCHEMBL520334 0.90 PKM (0.48) PKMCTSBMAPTPOLBALDH1A1
SCHEMBL2074112 0.90 PKM (0.62) PKMMAPTPOLBHDAC1ALDH1A1
Imidazole SCHEMBL28191111 0.85 PKM (0.48) PKMCTSBMAPTPOLBHDAC1
SCHEMBL26758080 0.82 L3MBTL1 (0.57) PKMCTSBMAPTPOLBALDH1A1
SCHEMBL9570463 0.80 PKM (0.70) PKMMAPTPOLBALDH1A1KMT2A
SCHEMBL28191110 0.79 PKM (0.51) PKMCTSBMAPTPOLBALDH1A1
SCHEMBL19911366 0.79 PKM (0.68) PKMMAPTPOLBHDAC1ALDH1A1
SCHEMBL7034458 0.79 PKM (0.68) PKMMAPTPOLBALDH1A1KMT2A
SCHEMBL19911363 0.79 PKM (0.57) PKMMAPTPOLBALDH1A1MEN1

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 6 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
WO-2004092181-A9 HETEROCYCLIC MCHR1 ANTAGONISTS SMITHKLINE BEECHAM CORP (US) 2005-01-27 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 PKM 2336/4885CTSB 4249/4885MAPT 3109/4885

“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.