SCHEMBL521635

SCHEMBL521635

O=[N+]([O-])c1ccc(Cl)c(CN2CCOCC2)c1

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
CTSB P07858 1/20 0.71
ALDH1A1 P00352 7/20 0.68
KDM4E B2RXH2 1/20 0.68
MAPT P10636 4/20 0.63
KCNJ1 P48048 3/20 0.63
CYP2A13 Q16696 2/20 0.54
CYP2C19 P33261 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
GAA P10253 1/20 0.50
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL18491687 0.89 CTSB (0.67) LMNASMN1; SMN2CTSBALDH1A1KDM4E
SCHEMBL13861957 0.87 LMNA (0.77) LMNASMN1; SMN2CTSBALDH1A1KDM4E
SCHEMBL922732 0.83 CTSB (1.00) LMNASMN1; SMN2CTSBALDH1A1KDM4E
SCHEMBL17979926 0.83 CTSB (0.71) LMNASMN1; SMN2CTSBALDH1A1KDM4E
SCHEMBL14768660 0.83 LMNA (1.00) LMNASMN1; SMN2CTSBALDH1A1KDM4E
SCHEMBL4362133 0.83 LMNA (0.71) LMNASMN1; SMN2CTSBALDH1A1KDM4E
SCHEMBL15688075 0.83 LMNA (0.71) LMNASMN1; SMN2CTSBALDH1A1KDM4E
SCHEMBL15000189 0.83 CTSB (0.71) LMNASMN1; SMN2CTSBALDH1A1KDM4E
SCHEMBL10692345 0.82 CTSB (0.97) LMNASMN1; SMN2CTSBALDH1A1KDM4E
SCHEMBL10692339 0.82 CTSB (0.97) LMNASMN1; SMN2CTSBALDH1A1KDM4E

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 7 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-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 US disclosed
US-7531553-B2 Heterocyclic compounds and methods of use AMGEN INC. (US) 2009-05-12 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 (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 3783/4885SMN1; SMN2 4722/4885CTSB 4249/4885

“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.