SCHEMBL521220

SCHEMBL521220

COc1cc(N(C)C(=O)CN2CCOCC2)ccc1N

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.48
KMT2A Q03164 4/20 0.46
ALDH1A1 P00352 4/20 0.46
MEN1 O00255 3/20 0.46
MAPT P10636 3/20 0.46
HTT P42858 1/20 0.46
PKM P14618 1/20 0.43
LMNA P02545 2/20 0.43
TP53 P04637 1/20 0.43
MAPK1 P28482 3/20 0.42
RXFP1 Q9HBX9 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALOX15 P16050 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
APP P05067 1/20 0.42
AURKA O14965 1/20 0.42
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
QPCT Q16769 1/20 0.41
USP2 O75604 1/20 0.41

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
SCHEMBL520985 0.87 AURKA (0.45) LMNAMAPK1SMN1; SMN2AURKA
SCHEMBL520652 0.82 KMT2A (0.50) HRH3KMT2AALDH1A1MEN1MAPT
SCHEMBL3144650 0.80 HRH3 (0.58) HRH3ALDH1A1MAPTHTTLMNA
SCHEMBL30879349 0.76 ALDH1A1 (0.44) KMT2AALDH1A1MEN1MAPTHTT
SCHEMBL3939407 0.76 ALDH1A1 (0.44) KMT2AALDH1A1MEN1HTTLMNA
SCHEMBL30879400 0.76 ALDH1A1 (0.44) KMT2AALDH1A1MEN1HTTLMNA
SCHEMBL13362075 0.75 KMT2A (0.58) KMT2AALDH1A1MAPTLMNATDP1
SCHEMBL792383 0.74 HRH3 (0.46) HRH3KMT2AALDH1A1MEN1MAPT
SCHEMBL13362089 0.74 MAPT (0.46) ALDH1A1MAPTLMNAAURKAL3MBTL1
SCHEMBL30879337 0.74 ALDH1A1 (0.41) ALDH1A1HTTLMNATDP1L3MBTL1

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 HRH3 1453/4885KMT2A 114/4885ALDH1A1 779/4885

“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.