SCHEMBL520092

SCHEMBL520092

COc1cc(N(C)C(=O)CCl)ccc1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.44
MAPT P10636 3/20 0.44
ALDH1A1 P00352 7/20 0.42
TDP1 Q9NUW8 1/20 0.42
GPX4 P36969 1/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
CHEK1 O14757 3/20 0.41
SIRT6 Q8N6T7 1/20 0.40
BACE1 P56817 2/20 0.40
HTT P42858 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL30879007 0.87 MAPT (0.44) LMNAMAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL30879022 0.87 LMNA (0.44) LMNAMAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL30879125 0.85 LMNA (0.45) LMNAMAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL17336378 0.82 ALDH1A1 (0.46) LMNAMAPTALDH1A1GPX4SMN1; SMN2
SCHEMBL17336404 0.79 ALDH1A1 (0.43) MAPTALDH1A1GPX4SMN1; SMN2HTT
SCHEMBL521221 0.79 SIRT6 (0.53) LMNAMAPTALDH1A1SMN1; SMN2RAB9A
SCHEMBL222267 0.78 MAPT (0.62) LMNAMAPTALDH1A1TDP1CHEK1
SCHEMBL520652 0.78 KMT2A (0.50) LMNAMAPTALDH1A1SMN1; SMN2NPC1
SCHEMBL28907047 0.77 ALDH1A1 (0.48) LMNAMAPTALDH1A1TDP1SMN1; SMN2
SCHEMBL26383006 0.76 ALDH1A1 (0.49) LMNAMAPTALDH1A1TDP1SMN1; SMN2

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 LMNA 3783/4885MAPT 3109/4885ALDH1A1 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.