SCHEMBL521026

SCHEMBL521026

O=[N+]([O-])c1ccc2c(cnn2CCN2CCOCC2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLS O94925 1/20 0.65
CNR1 P21554 1/20 0.51
CNR2 P34972 1/20 0.51
LMNA P02545 3/20 0.48
POLB P06746 2/20 0.48
MAPT P10636 2/20 0.48
PKM P14618 2/20 0.48
CTSB P07858 1/20 0.48
HDAC3 O15379 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC1 Q13547 1/20 0.48
ALDH1A1 P00352 3/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
MCHR1 Q99705 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KCNJ1 P48048 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 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
SCHEMBL521889 0.90 GLS (0.52) GLSCNR1CNR2LMNAPOLB
SCHEMBL2075325 0.90 GLS (0.68) GLSCNR1CNR2LMNAPKM
SCHEMBL6069917 0.89 GLS (0.67) GLSCNR1CNR2LMNAPKM
SCHEMBL16931087 0.88 GLS (0.65) GLSCNR1CNR2LMNAPKM
SCHEMBL5860883 0.80 GLS (0.54) GLSCNR1CNR2LMNAPKM
SCHEMBL8555183 0.80 GLS (0.64) GLSLMNAPOLBMAPTPKM
SCHEMBL31251358 0.80 GLS (0.57) GLSCNR2MAPTCTSBHDAC2
SCHEMBL14928249 0.79 GLS (0.75) GLSCNR1CNR2LMNAPOLB
SCHEMBL2933655 0.79 GLS (0.75) GLSLMNAPOLBMAPTPKM
SCHEMBL20859441 0.79 HDAC3 (0.50) HDAC3HDAC2HDAC1MCHR1

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 8 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
US-7071182-B2 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES (US) 2006-07-04 US disclosed
US-20050277638-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBVIE INC. 2005-12-15 US disclosed
US-20050137243-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor ABBOTT LABORATORIES 2005-06-23 US 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 (3 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-20050137243-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R GLS 1607/4885CNR1 763/4885CNR2 1318/4885
US-20050277638-A1 Antagonists of melanin concentrating hormone effects on the melanin concentrating hormone receptor MCHR1, MCHR2, MC1R GLS 1607/4885CNR1 763/4885CNR2 1318/4885
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.