SCHEMBL520213

SCHEMBL520213

O=[N+]([O-])c1ccc(N2CCCC(N3CCOCC3)C2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.54
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
ALDH1A1 P00352 3/20 0.50
AKR1C3 P42330 1/20 0.50
MAPK1 P28482 1/20 0.50
LMNA P02545 2/20 0.47
CYP1B1 Q16678 1/20 0.46
TDP1 Q9NUW8 1/20 0.45
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
BLM P54132 1/20 0.45
SIRT6 Q8N6T7 2/20 0.44
POLB P06746 1/20 0.44
ADRB1 P08588 1/20 0.44
KCNJ1 P48048 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL2483651 0.94 MAPT (0.48) MAPTKMT2AMEN1ALDH1A1AKR1C3
SCHEMBL2482008 0.90 ADRB1 (0.45) MAPTKMT2AMEN1ALDH1A1AKR1C3
SCHEMBL12005434 0.88 MEN1 (0.63) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL12005432 0.88 MEN1 (0.63) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL12006741 0.88 MEN1 (0.63) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL17888637 0.88 AKR1C3 (0.56) MAPTKMT2AMEN1ALDH1A1AKR1C3
SCHEMBL520818 0.86 LMNA (0.63) MAPTKMT2AMEN1ALDH1A1MAPK1
SCHEMBL15552716 0.84 KMT2A (0.55) MAPTKMT2AMEN1ALDH1A1AKR1C3
SCHEMBL15552714 0.84 KMT2A (0.55) MAPTKMT2AMEN1ALDH1A1AKR1C3
SCHEMBL17645059 0.84 KMT2A (0.55) MAPTKMT2AMEN1ALDH1A1AKR1C3

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 MAPT 3109/4885KMT2A 114/4885MEN1 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.