SCHEMBL520963

SCHEMBL520963

COc1cc(N2CCC(F)(F)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.75

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.75
ALDH1A1 P00352 4/20 0.75
SIRT6 Q8N6T7 5/20 0.71
MAPT P10636 10/20 0.60
HTR6 P50406 2/20 0.51
HTT P42858 2/20 0.48
HPGD P15428 2/20 0.48
CYP1A2 P05177 3/20 0.47
CYP2C19 P33261 3/20 0.47
CYP2C9 P11712 2/20 0.47
CYP3A4 P08684 1/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.44

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
SCHEMBL521756 0.90 LMNA (0.61) LMNAALDH1A1SIRT6MAPTHTR6
SCHEMBL12840924 0.88 LMNA (0.77) LMNAALDH1A1SIRT6MAPTHTR6
SCHEMBL6367942 0.86 ALDH1A1 (1.00) LMNAALDH1A1SIRT6MAPTHTR6
SCHEMBL29788578 0.86 ALDH1A1 (1.00) LMNAALDH1A1SIRT6MAPTHTR6
SCHEMBL29753282 0.85 ALDH1A1 (0.78) LMNAALDH1A1SIRT6MAPTHTR6
SCHEMBL29800124 0.85 ALDH1A1 (0.97) LMNAALDH1A1SIRT6MAPTHTR6
SCHEMBL2205195 0.85 ALDH1A1 (0.97) LMNAALDH1A1SIRT6MAPTHTR6
SCHEMBL17411235 0.84 SIRT6 (0.81) LMNAALDH1A1SIRT6MAPTHTR6
SCHEMBL520015 0.83 SIRT6 (1.00) LMNAALDH1A1SIRT6MAPTHTR6
SCHEMBL28369226 0.83 ALDH1A1 (0.79) LMNAALDH1A1SIRT6MAPTHTR6

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 3783/4885ALDH1A1 779/4885SIRT6 3364/4885

“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.