SCHEMBL521889

SCHEMBL521889

O=[N+]([O-])c1ccc2cnn(CCN3CCOCC3)c2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.52
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
PKM P14618 2/20 0.48
CTSB P07858 1/20 0.48
ALDH1A1 P00352 5/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
LMNA P02545 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KCNJ1 P48048 1/20 0.47
HTR7 P34969 1/20 0.45
MTOR P42345 1/20 0.43
IRAK1 P51617 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL521026 0.90 GLS (0.65) GLSCNR1CNR2MAPTPOLB
SCHEMBL5860883 0.90 GLS (0.54) GLSCNR1CNR2PKMALDH1A1
SCHEMBL6069531 0.81 GLS (0.48) GLSCNR1CNR2MAPTPKM
SCHEMBL2075325 0.80 GLS (0.68) GLSCNR1CNR2PKMALDH1A1
SCHEMBL29190623 0.79 GLS (0.59) GLSMAPTPOLBPKMKMT2A
SCHEMBL22126712 0.79 GLS (0.59) GLSCNR1CNR2MAPTLMNA
SCHEMBL14923499 0.79 GLS (0.59) GLSMAPTPOLBKMT2AMEN1
SCHEMBL30833705 0.79 GLS (0.59) GLSMAPTPOLBPKMKMT2A
SCHEMBL6069917 0.79 GLS (0.67) GLSCNR1CNR2PKMALDH1A1
SCHEMBL17673722 0.78 EGFR (0.56) MAPTALDH1A1KMT2ALMNAHTR7

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 GLS 635/4885CNR1 1990/4885CNR2 1852/4885

“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.