SCHEMBL520652

SCHEMBL520652

COc1cc(N(C)C(=O)CN2CCOCC2)ccc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.50
MEN1 O00255 2/20 0.50
PKM P14618 1/20 0.50
NPC1 O15118 3/20 0.46
HRH3 Q9Y5N1 1/20 0.46
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 3/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
LMNA P02545 2/20 0.43
CHEK1 O14757 1/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL521221 0.88 SIRT6 (0.53) KMT2AALDH1A1KDM4ERAB9ASMN1; SMN2
SCHEMBL521220 0.82 HRH3 (0.48) KMT2AMEN1PKMHRH3ALDH1A1
SCHEMBL3151719 0.79 KMT2A (0.59) KMT2AMEN1PKMHRH3ALDH1A1
SCHEMBL30879007 0.78 MAPT (0.44) KMT2AMEN1NPC1ALDH1A1RAB9A
SCHEMBL520092 0.78 LMNA (0.44) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL30879022 0.78 LMNA (0.44) NPC1ALDH1A1RAB9ASMN1; SMN2LMNA
SCHEMBL30879125 0.76 LMNA (0.45) KMT2ANPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL29788525 0.75 HTT (0.59) KMT2AMEN1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL15577323 0.73 ALDH1A1 (0.42) KMT2AMEN1PKMNPC1ALDH1A1
SCHEMBL3698388 0.73 NPC1 (0.55) KMT2AMEN1PKMNPC1ALDH1A1

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 KMT2A 114/4885MEN1 3470/4885PKM 2336/4885

“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.