SCHEMBL520462

SCHEMBL520462

COc1cc(N2CCCC(N3CCNCC3)C2)ccc1[N+](=O)[O-]

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.62
LMNA P02545 2/20 0.62
SIRT6 Q8N6T7 1/20 0.54
MAPT P10636 14/20 0.52
MAPK1 P28482 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CYP1A2 P05177 3/20 0.45
CYP2C19 P33261 3/20 0.45
HTT P42858 3/20 0.45
CYP2C9 P11712 1/20 0.45
POLB P06746 1/20 0.45
RECQL P46063 1/20 0.45
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.40
KMT2A Q03164 2/20 0.40
HTR6 P50406 2/20 0.40
KHK P50053 1/20 0.40

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
Bromide SCHEMBL519506 0.99 ALDH1A1 (0.61) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL15754980 0.89 LMNA (0.64) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL519153 0.88 SIRT6 (0.67) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL521146 0.88 ALDH1A1 (0.62) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL310079 0.87 ALDH1A1 (0.64) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL519977 0.86 ALDH1A1 (0.60) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL519864 0.85 ALDH1A1 (0.58) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL521483 0.84 ALDH1A1 (0.61) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL521267 0.83 ALDH1A1 (0.56) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL311747 0.83 SIRT6 (0.65) ALDH1A1LMNASIRT6MAPTMAPK1

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 ALDH1A1 779/4885LMNA 3783/4885SIRT6 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.