SCHEMBL521741

SCHEMBL521741

CC(C)(C)OC(=O)N1CCN(C(=O)O)CC1c1cccc([N+](=O)[O-])c1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 4/20 0.48
NR1H3 Q13133 4/20 0.48
MAPT P10636 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.46
NR3C2 P08235 1/20 0.44
PDE5A O76074 1/20 0.42
ROCK2 O75116 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 1/20 0.40
OPRK1 P41145 1/20 0.40
GHSR Q92847 1/20 0.40
ABHD6 Q9BV23 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL521740 0.94 LMNA (0.50) NR1H2NR1H3MAPTLMNAALDH1A1
SCHEMBL520671 0.87 ALDH1A1 (0.55) NR1H2NR1H3MAPTLMNAALDH1A1
SCHEMBL2809566 0.83 NR1H2 (0.57) NR1H2NR1H3ROCK2ABHD6
SCHEMBL31578404 0.83 LMNA (0.49) MAPTLMNAALDH1A1NR3C2PDE5A
SCHEMBL522583 0.83 NR1H2 (0.53) NR1H2NR1H3ROCK2ABHD6
SCHEMBL520670 0.81 ALDH1A1 (0.60) NR1H2NR1H3MAPTLMNAALDH1A1
SCHEMBL25322484 0.79 NR3C2 (0.42) NR1H2NR1H3MAPTLMNAALDH1A1
SCHEMBL7670172 0.79 ALDH1A1 (0.58) NR1H2NR1H3MAPTLMNAALDH1A1
SCHEMBL31226708 0.79 LMNA (0.45) NR1H2NR1H3MAPTLMNAALDH1A1
SCHEMBL23123816 0.78 LMNA (0.50) MAPTLMNAALDH1A1NR3C2KDM4E

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 NR1H2 3126/4885NR1H3 3733/4885MAPT 3109/4885

“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.