SCHEMBL520517

SCHEMBL520517

COc1cc(CN2CCN(C(=O)OC(C)(C)C)CC2)ccc1N

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.51
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
TP53 P04637 1/20 0.51
MAPK1 P28482 1/20 0.51
FAAH O00519 1/20 0.48
VEGFA P15692 1/20 0.46
EGLN1 Q9GZT9 1/20 0.46
ALDH1A1 P00352 3/20 0.46
IDO1 P14902 1/20 0.44
TDO2 P48775 1/20 0.44
IDO2 Q6ZQW0 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
SCHEMBL30038994 0.88 VEGFA (0.49) VEGFAEGLN1ALDH1A1IDO1TDO2
SCHEMBL28449818 0.88 VEGFA (0.49) VEGFAEGLN1ALDH1A1IDO1TDO2
SCHEMBL28659906 0.86 KMT2A (0.49) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL30039647 0.86 KDM4E (0.46) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL28459637 0.86 KDM4E (0.46) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL2931664 0.86 KDM4E (0.51) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL5470260 0.86 VEGFA (0.50) KMT2AMEN1TP53FAAHVEGFA
SCHEMBL28670217 0.85 MEN1 (0.50) KDM4EKMT2AMEN1TP53MAPK1
SCHEMBL28424017 0.85 IDO1 (0.49) KDM4EVEGFAEGLN1ALDH1A1IDO1
SCHEMBL4185470 0.85 VEGFA (0.47) FAAHVEGFAEGLN1ALDH1A1IDO1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017097113-A1 AMINOPYRIMIDINE COMPOUNDS FOR INHIBITING ACITIVITY OF PROTEIN TYROSINE KINASE 深圳市塔吉瑞生物医药有限公司 2017-06-15 WO disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
US-20140155389-A1 BICYCLIC INHIBITORS OF ALK ABBVIE INC. (US) 2014-06-05 US 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 (2 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-20140155389-A1 BICYCLIC INHIBITORS OF ALK ALK, ABL1, BOD1L1 KDM4E 838/4885KMT2A 737/4885MEN1 1677/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 KDM4E 192/4885KMT2A 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.