SCHEMBL521032

SCHEMBL521032

O=[N+]([O-])c1ccc2nn(CCN3CCOCC3)cc2c1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.48
MAPT P10636 3/20 0.48
PKM P14618 3/20 0.48
POLB P06746 2/20 0.48
CTSB P07858 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
ALDH1A1 P00352 7/20 0.47
AHR P35869 1/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KCNJ1 P48048 1/20 0.47
MAOB P27338 1/20 0.47
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44

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
SCHEMBL521706 0.90 MAPT (0.54) LMNAMAPTPKMPOLBCTSB
SCHEMBL2076118 0.90 ALDH1A1 (0.50) LMNAMAPTPKMPOLBALDH1A1
SCHEMBL5860934 0.89 ALDH1A1 (0.52) LMNAMAPTPKMPOLBALDH1A1
SCHEMBL16931374 0.88 HTR7 (0.50) LMNAMAPTPKMALDH1A1KMT2A
SCHEMBL5861265 0.80 MAPT (0.57) LMNAMAPTPKMALDH1A1KMT2A
SCHEMBL25273637 0.79 MAPT (0.48) LMNAMAPTPOLBALDH1A1KMT2A
SCHEMBL15244018 0.79 MAPT (0.48) LMNAMAPTPKMPOLBALDH1A1
SCHEMBL22604313 0.79 MAPT (0.51) LMNAMAPTKMT2AMEN1SMN1; SMN2
SCHEMBL31324320 0.79 KMT2A (0.45) LMNAMAPTPKMPOLBHDAC3
SCHEMBL23638281 0.78 HDAC3 (0.47) LMNAMAPTPOLBHDAC3HDAC1

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 LMNA 3783/4885MAPT 3109/4885PKM 2336/4885

“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.