SCHEMBL519740

SCHEMBL519740

COc1cc(N2CCC(N3CC[C@@H](O)C3)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
LMNA P02545 2/20 0.61
MAPT P10636 6/20 0.59
SIRT6 Q8N6T7 3/20 0.59
HTR6 P50406 1/20 0.43
PLK1 P53350 4/20 0.43
CCNE1 P24864 3/20 0.42
CDK2 P24941 3/20 0.42
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
RAB9A P51151 1/20 0.41
HPGD P15428 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
HTT P42858 1/20 0.39

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
SCHEMBL519501 1.00 ALDH1A1 (0.61) ALDH1A1LMNAMAPTSIRT6HTR6
SCHEMBL519500 1.00 ALDH1A1 (0.61) ALDH1A1LMNAMAPTSIRT6HTR6
SCHEMBL3704731 0.94 LMNA (0.62) ALDH1A1LMNAMAPTSIRT6HTR6
SCHEMBL10126752 0.89 ALDH1A1 (0.64) ALDH1A1LMNAMAPTSIRT6HTR6
SCHEMBL5391699 0.89 ALDH1A1 (0.66) ALDH1A1LMNAMAPTSIRT6HTR6
SCHEMBL6177438 0.89 ALDH1A1 (0.66) ALDH1A1LMNAMAPTSIRT6HTR6
SCHEMBL311272 0.89 ALDH1A1 (0.73) ALDH1A1LMNAMAPTSIRT6HTR6
SCHEMBL517333 0.88 ALDH1A1 (0.62) ALDH1A1LMNAMAPTSIRT6HTR6
SCHEMBL517334 0.88 ALDH1A1 (0.62) ALDH1A1LMNAMAPTSIRT6HTR6
SCHEMBL2208227 0.88 ALDH1A1 (0.62) ALDH1A1LMNAMAPTSIRT6HTR6

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 3783/4885MAPT 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.