SCHEMBL520686

SCHEMBL520686

CN1CCN(CC2CCN(c3ccc([N+](=O)[O-])cc3)CC2)CC1

nearest known ligand 0.71

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 2/20 0.68
LMNA P02545 1/20 0.62
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPT P10636 4/20 0.52
SIGMAR1 Q99720 1/20 0.52
HRH3 Q9Y5N1 1/20 0.52
HTR1A P08908 1/20 0.50
POLB P06746 2/20 0.49
ALDH1A1 P00352 1/20 0.49
ADRB1 P08588 1/20 0.49

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
SCHEMBL5726222 0.87 MEN1 (0.63) SIRT6LMNAMEN1KMT2AMAPT
SCHEMBL28241 0.85 KMT2A (0.60) SIRT6LMNAMEN1KMT2AMAPT
SCHEMBL520304 0.85 LMNA (0.60) SIRT6LMNAMEN1KMT2AMAPT
SCHEMBL26706272 0.84 MEN1 (0.67) SIRT6LMNAMEN1KMT2AMAPT
SCHEMBL30817337 0.84 SIRT6 (0.68) SIRT6MEN1KMT2AMAPTSIGMAR1
SCHEMBL27188940 0.83 KMT2A (0.53) LMNAMEN1KMT2AMAPTHRH3
SCHEMBL447471 0.82 SIRT6 (1.00) SIRT6LMNAMEN1KMT2AMAPT
SCHEMBL1647766 0.82 KMT2A (0.56) SIRT6MEN1KMT2AMAPTSIGMAR1
SCHEMBL26706271 0.82 MEN1 (0.61) SIRT6LMNAMEN1KMT2AMAPT
SCHEMBL24834707 0.81 MAPT (0.47) SIRT6KMT2AMAPTALDH1A1ADRB1

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 3364/4885LMNA 3783/4885MEN1 3470/4885

“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.