SCHEMBL521306

SCHEMBL521306

CN1CCN(C(=O)C2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1

nearest known ligand 0.65

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SIRT6 Q8N6T7 1/20 0.65
▸ MAPT P10636 7/20 0.63
▸ LMNA P02545 3/20 0.59
▸ KMT2A Q03164 1/20 0.55
▸ ALDH1A1 P00352 5/20 0.54
▸ SMN1; SMN2 Q16637 3/20 0.54
▸ HTT P42858 1/20 0.54
▸ HPGD P15428 1/20 0.52
▸ AKR1C3 P42330 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL24126653 0.86 AKR1C3 (0.67) MAPTKMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL520330 0.85 MAPT (0.62) SIRT6MAPTLMNAKMT2AALDH1A1
SCHEMBL26706251 0.85 KMT2A (0.70) MAPTLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL26706253 0.84 KMT2A (0.72) MAPTKMT2AALDH1A1SMN1; SMN2HTT
SCHEMBL5466738 0.82 SIRT6 (0.79) SIRT6MAPTLMNAKMT2AALDH1A1
SCHEMBL520513 0.81 KMT2A (0.58) MAPTLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL15896472 0.81 MAPT (0.72) SIRT6MAPTLMNAKMT2AALDH1A1
SCHEMBL7300130 0.81 MAPT (0.55) MAPTLMNAKMT2AALDH1A1SMN1; SMN2
SCHEMBL447471 0.80 SIRT6 (1.00) SIRT6MAPTLMNAKMT2AALDH1A1
SCHEMBL520922 0.80 KMT2A (0.53) SIRT6MAPTLMNAKMT2AALDH1A1

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 3364/4885MAPT 3109/4885LMNA 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.

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