SCHEMBL520551

SCHEMBL520551

COc1cc([C@@H](C2CCCNC2)N2CCN(C)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 3/20 0.47
ALDH1A1 P00352 4/20 0.42
LMNA P02545 1/20 0.42
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
CYP2D6 P10635 1/20 0.39
SLC6A3 Q01959 1/20 0.39
MAPT P10636 2/20 0.38
ACHE P22303 1/20 0.36
HTR6 P50406 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33

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
SCHEMBL520541 1.00 SIRT6 (0.47) SIRT6ALDH1A1LMNASLC6A2SLC6A4
SCHEMBL2485125 1.00 SIRT6 (0.47) SIRT6ALDH1A1LMNASLC6A2SLC6A4
SCHEMBL519356 0.88 SIRT6 (0.51) SIRT6ALDH1A1LMNASLC6A2SLC6A4
SCHEMBL520305 0.81 SIRT6 (0.42) SIRT6ALDH1A1LMNASLC6A2SLC6A4
SCHEMBL10206566 0.71 HTR2A (0.58) ALDH1A1LMNAMAPTHTR6
SCHEMBL520687 0.68 SIRT6 (0.46) SIRT6ALDH1A1LMNASLC6A3
SCHEMBL11302365 0.68 ALDH1A1 (0.55) SIRT6ALDH1A1LMNAMAPTACHE
Hydrochloric Acid SCHEMBL29753192 0.67 MAPK1 (0.64) ALDH1A1LMNAMAPT
Hydrochloric Acid SCHEMBL29753218 0.67 MAPK1 (0.64) ALDH1A1LMNAMAPT
SCHEMBL20490713 0.66 QDPR (0.60) 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.