SCHEMBL521756

SCHEMBL521756

COc1cc(N2CCC(N3CCC(F)(F)CC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.61
ALDH1A1 P00352 3/20 0.61
MAPT P10636 9/20 0.59
SIRT6 Q8N6T7 2/20 0.59
HTR6 P50406 1/20 0.43
PLK1 P53350 4/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
RAB9A P51151 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
SCHEMBL520963 0.90 LMNA (0.75) LMNAALDH1A1MAPTSIRT6HTR6
SCHEMBL2206592 0.88 LMNA (0.60) LMNAALDH1A1MAPTSIRT6HTR6
SCHEMBL520231 0.88 ALDH1A1 (0.76) LMNAALDH1A1MAPTSIRT6HTR6
SCHEMBL311491 0.86 ALDH1A1 (0.74) LMNAALDH1A1MAPTSIRT6HTR6
SCHEMBL375616 0.85 SIRT6 (0.77) LMNAALDH1A1MAPTSIRT6HTR6
SCHEMBL311063 0.85 ALDH1A1 (0.65) LMNAALDH1A1MAPTSIRT6HTR6
SCHEMBL3722026 0.85 ALDH1A1 (0.65) LMNAALDH1A1MAPTSIRT6HTR6
SCHEMBL517566 0.85 ALDH1A1 (0.61) LMNAALDH1A1MAPTSIRT6HTR6
SCHEMBL310079 0.84 ALDH1A1 (0.64) LMNAALDH1A1MAPTSIRT6HTR6
SCHEMBL519970 0.84 ALDH1A1 (0.64) LMNAALDH1A1MAPTSIRT6HTR6

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 779/4885MAPT 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.