SCHEMBL521706

SCHEMBL521706

O=[N+]([O-])c1ccc2cn(CCN3CCOCC3)nc2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
CTSB P07858 1/20 0.51
PKM P14618 3/20 0.48
POLB P06746 2/20 0.48
ALDH1A1 P00352 5/20 0.47
LMNA P02545 5/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
MEN1 O00255 4/20 0.47
KMT2A Q03164 4/20 0.47
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
KCNJ1 P48048 1/20 0.47
CNR1 P21554 1/20 0.46
CNR2 P34972 1/20 0.46
NFKB1 P19838 1/20 0.45
CASP3 P42574 1/20 0.45
NFKB2 Q00653 1/20 0.45
RELA Q04206 1/20 0.45
SENP8 Q96LD8 1/20 0.45
SENP7 Q9BQF6 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
SCHEMBL521032 0.90 LMNA (0.48) MAPTCTSBPKMPOLBALDH1A1
SCHEMBL5861265 0.90 MAPT (0.57) MAPTPKMALDH1A1LMNASMN1; SMN2
SCHEMBL2076118 0.80 ALDH1A1 (0.50) MAPTPKMPOLBALDH1A1LMNA
SCHEMBL15244022 0.79 MAPT (0.62) MAPTPKMPOLBALDH1A1LMNA
SCHEMBL19462310 0.79 MAPT (0.62) MAPTPKMPOLBALDH1A1LMNA
SCHEMBL21316559 0.79 MAPT (0.67) MAPTPKMPOLBALDH1A1LMNA
SCHEMBL5860934 0.79 ALDH1A1 (0.52) MAPTPKMPOLBALDH1A1LMNA
SCHEMBL31324320 0.79 KMT2A (0.45) MAPTPKMPOLBALDH1A1LMNA
SCHEMBL521313 0.78 MAPT (0.49) MAPTALDH1A1LMNASMN1; SMN2NPC1
SCHEMBL16931374 0.78 HTR7 (0.50) MAPTPKMALDH1A1LMNASMN1; SMN2

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 MAPT 3109/4885CTSB 4249/4885PKM 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.