SCHEMBL521187

SCHEMBL521187

CC(C)(C)OC(=O)Cn1ccc([N+](=O)[O-])n1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PKM P14618 2/20 0.53
KMT2A Q03164 3/20 0.53
LMNA P02545 3/20 0.51
MEN1 O00255 1/20 0.48
GAA P10253 3/20 0.48
CYP1A2 P05177 2/20 0.46
CYP3A4 P08684 2/20 0.46
CYP2C19 P33261 2/20 0.46
ALDH1A1 P00352 2/20 0.46
RECQL P46063 1/20 0.46
CYP2D6 P10635 1/20 0.46
POLB P06746 1/20 0.42
F2 P00734 2/20 0.41
PLAU P00749 2/20 0.41
KLKB1 P03952 2/20 0.41
ELANE P08246 2/20 0.41

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
SCHEMBL1856233 0.86 ALDH1A1 (0.51) PKMKMT2ALMNAMEN1GAA
SCHEMBL26649089 0.84 KMT2A (0.60) PKMKMT2ALMNAMEN1GAA
SCHEMBL25305914 0.82 LMNA (0.43) PKMKMT2ALMNAMEN1GAA
SCHEMBL21826406 0.82 LMNA (0.55) PKMKMT2ALMNAMEN1GAA
SCHEMBL12633753 0.79 KMT2A (0.64) PKMKMT2ALMNAMEN1GAA
SCHEMBL10264585 0.78 LMNA (0.46) PKMKMT2ALMNAMEN1GAA
SCHEMBL28497312 0.78 MITF (0.39) PKMKMT2ALMNAMEN1ALDH1A1
SCHEMBL521093 0.77 PKM (0.62) PKMKMT2ALMNAMEN1GAA
SCHEMBL28856266 0.77 KMT2A (0.62) PKMKMT2ALMNAMEN1GAA
SCHEMBL10255904 0.77 LMNA (0.43) PKMKMT2ALMNAMEN1GAA

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116332905-A (S) -N-phenyl-1- (pyridin-2-yl) pyrrolidine-2-carboxamide derivatives 上海翊石医药科技有限公司 2023-06-27 CN disclosed
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
US-7935699-B2 Pyrazole glucokinase activators HOFFMANN-LA ROCHE INC. (US) 2011-05-03 US disclosed
EP-2261216-A2 Pyrazoles as glucokinase activators F. Hoffmann-La Roche AG (CH) 2010-12-15 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed
US-20080021032-A1 Pyrazole glucokinase activators BERTHEL STEVEN JOSEPH 2008-01-24 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 (2 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 PKM 2336/4885KMT2A 114/4885LMNA 3783/4885
US-20080021032-A1 Pyrazole glucokinase activators GCKR, GCK, GALK1 PKM 116/4885KMT2A 4296/4885LMNA 4599/4885

“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.