SCHEMBL520550

SCHEMBL520550

COc1cc(N2CCC[C@H](CN3CCN(C)CC3)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 5/20 0.64
ALDH1A1 P00352 3/20 0.60
LMNA P02545 2/20 0.60
MAPT P10636 5/20 0.50
HTR6 P50406 3/20 0.47
EGFR P00533 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
ALOX12 P18054 1/20 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
SCHEMBL520540 1.00 SIRT6 (0.64) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL519355 0.88 SIRT6 (0.72) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL2206521 0.83 SIRT6 (0.67) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL3712921 0.83 ALDH1A1 (0.55) SIRT6ALDH1A1LMNAMAPTMAPK1
SCHEMBL519153 0.82 SIRT6 (0.67) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL519584 0.82 PRKDC (0.41) SIRT6MAPTMAPK1HTT
SCHEMBL519585 0.82 PRKDC (0.41) SIRT6MAPTMAPK1HTT
SCHEMBL519583 0.82 PRKDC (0.41) SIRT6MAPTMAPK1HTT
SCHEMBL520304 0.82 LMNA (0.60) SIRT6ALDH1A1LMNAMAPTMAPK1
SCHEMBL309810 0.80 ALDH1A1 (0.70) SIRT6ALDH1A1LMNAMAPTHTR6

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 SIRT6 3364/4885ALDH1A1 779/4885LMNA 3783/4885

“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.