SCHEMBL519649

SCHEMBL519649

COc1ccc(C(=O)N2CCOCC2)cc1[N+](=O)[O-]

nearest known ligand 0.71

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.71
KMT2A Q03164 8/20 0.69
ALDH1A1 P00352 6/20 0.67
KDM4E B2RXH2 1/20 0.67
GLA P06280 1/20 0.65
MEN1 O00255 4/20 0.61
MAPT P10636 3/20 0.61
POLB P06746 1/20 0.61
L3MBTL1 Q9Y468 1/20 0.61
SMN1; SMN2 Q16637 2/20 0.60
HTT P42858 2/20 0.60
LMNA P02545 2/20 0.59
HPGD P15428 1/20 0.59
NPC1 O15118 2/20 0.59
RAB9A P51151 1/20 0.57

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
SCHEMBL29833145 0.90 ALDH1A1 (0.71) GAAKMT2AALDH1A1KDM4EGLA
SCHEMBL12312156 0.90 ALDH1A1 (0.71) GAAKMT2AALDH1A1KDM4EGLA
SCHEMBL28555772 0.86 GAA (0.66) GAAKMT2AALDH1A1KDM4EGLA
SCHEMBL520898 0.86 ALDH1A1 (0.66) GAAKMT2AALDH1A1MEN1MAPT
SCHEMBL546063 0.84 ALDH1A1 (0.78) GAAKMT2AALDH1A1KDM4EMEN1
SCHEMBL22767195 0.83 GAA (1.00) GAAKMT2AALDH1A1KDM4EMEN1
SCHEMBL2153065 0.83 ALDH1A1 (0.80) GAAKMT2AALDH1A1KDM4EMEN1
SCHEMBL16982486 0.83 ALDH1A1 (0.61) GAAKMT2AALDH1A1KDM4EGLA
SCHEMBL9173237 0.83 KMT2A (0.77) GAAKMT2AALDH1A1GLAMAPT
SCHEMBL14994813 0.81 KDM4E (0.59) GAAKMT2AALDH1A1KDM4EMEN1

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 GAA 3085/4885KMT2A 114/4885ALDH1A1 779/4885

“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.