SCHEMBL520304

SCHEMBL520304

CN1CCN(CC2CCCN(c3ccc([N+](=O)[O-])cc3)C2)CC1

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.60
SIRT6 Q8N6T7 1/20 0.58
MAPT P10636 4/20 0.53
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
SSTR1 P30872 1/20 0.45
SSTR3 P32745 1/20 0.45
HTR1A P08908 1/20 0.44
HTR7 P34969 1/20 0.43
ESRRG P62508 1/20 0.43
HRH3 Q9Y5N1 2/20 0.43
SIGMAR1 Q99720 1/20 0.43
POLB P06746 1/20 0.43

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
SCHEMBL520686 0.85 SIRT6 (0.68) LMNASIRT6MAPTALDH1A1MEN1
SCHEMBL27113257 0.83 MAPT (0.61) LMNASIRT6MAPTALDH1A1MAPK1
SCHEMBL519930 0.82 KDM4E (0.51) LMNAMAPTALDH1A1MEN1KMT2A
SCHEMBL10036392 0.82 ALDH1A1 (0.48) LMNAMAPTALDH1A1KMT2AHTR7
SCHEMBL520550 0.82 SIRT6 (0.64) LMNASIRT6MAPTALDH1A1MAPK1
SCHEMBL520540 0.82 SIRT6 (0.64) LMNASIRT6MAPTALDH1A1MAPK1
SCHEMBL4714774 0.81 MAPT (0.58) LMNASIRT6MAPTALDH1A1MAPK1
SCHEMBL520818 0.80 LMNA (0.63) LMNASIRT6MAPTALDH1A1MAPK1
SCHEMBL19221763 0.79 MAPT (0.56) LMNASIRT6MAPTALDH1A1MAPK1
SCHEMBL30729403 0.78 MAPT (0.56) LMNASIRT6MAPTALDH1A1MAPK1

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 6 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
WO-2012053606-A1 ARYLAMINOHETEROCYCLIC CARBOXAMIDE COMPOUND アステラス製薬株式会社 (JP) 2012-04-26 WO 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 LMNA 3783/4885SIRT6 3364/4885MAPT 3109/4885

“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.