SCHEMBL520626

SCHEMBL520626

COc1cc(CN2CCC(O)CC2)ccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.65
ALDH1A1 P00352 7/20 0.65
POLB P06746 1/20 0.65
MAPK1 P28482 1/20 0.54
TDP1 Q9NUW8 1/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MAPT P10636 4/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL12492402 0.86 ALDH1A1 (0.60) KDM4EALDH1A1MAPK1TDP1HTT
SCHEMBL10290236 0.85 ALDH1A1 (0.59) ALDH1A1POLBMAPK1MAPTMEN1
SCHEMBL30019164 0.84 SIRT6 (0.62) KDM4EALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL10291110 0.84 SIRT6 (0.62) KDM4EALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL29788525 0.82 HTT (0.59) KDM4EALDH1A1TDP1HTTSMN1; SMN2
SCHEMBL13163915 0.82 ALDH1A1 (0.61) KDM4EALDH1A1POLBMAPK1TDP1
SCHEMBL12491475 0.81 SIRT6 (0.50) KDM4EALDH1A1MAPK1TDP1HTT
SCHEMBL311272 0.79 ALDH1A1 (0.73) ALDH1A1MAPK1TDP1MAPTMEN1
SCHEMBL520969 0.78 KDM4E (0.55) KDM4EALDH1A1MEN1KMT2ARAB9A
SCHEMBL18970187 0.78 ALDH1A1 (0.52) KDM4EALDH1A1MAPK1TDP1HTT

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 KDM4E 192/4885ALDH1A1 779/4885POLB 860/4885

“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.