SCHEMBL521572

SCHEMBL521572

COc1cc(N2CCC(C)(N3CCOCC3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.64
LMNA P02545 4/20 0.64
SIRT6 Q8N6T7 1/20 0.61
MAPT P10636 13/20 0.53
PKM P14618 2/20 0.51
MAPK1 P28482 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
TDP1 Q9NUW8 3/20 0.47
HPGD P15428 2/20 0.47
CYP2C9 P11712 1/20 0.46
HTT P42858 1/20 0.46
HTR6 P50406 1/20 0.45
CHEK1 O14757 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
SCHEMBL1230074 0.88 ALDH1A1 (0.77) ALDH1A1LMNASIRT6MAPTPKM
SCHEMBL12840924 0.83 LMNA (0.77) ALDH1A1LMNASIRT6MAPTMEN1
SCHEMBL521335 0.82 CHEK1 (0.49) ALDH1A1LMNAMAPTPKMMAPK1
SCHEMBL28053864 0.81 ALDH1A1 (0.70) ALDH1A1LMNASIRT6MAPTPKM
SCHEMBL519642 0.81 ALDH1A1 (0.70) ALDH1A1LMNASIRT6MAPTPKM
SCHEMBL519970 0.80 ALDH1A1 (0.64) ALDH1A1LMNASIRT6MAPTPKM
SCHEMBL520963 0.79 LMNA (0.75) ALDH1A1LMNASIRT6MAPTMEN1
SCHEMBL29788578 0.79 ALDH1A1 (1.00) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL6367942 0.79 ALDH1A1 (1.00) ALDH1A1LMNASIRT6MAPTMAPK1
SCHEMBL29753282 0.78 ALDH1A1 (0.78) ALDH1A1LMNASIRT6MAPTMEN1

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.