SCHEMBL520329

SCHEMBL520329

COc1cc2c(cc1N)CCN(CC(N)=O)CC2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
ALDH1A1 P00352 4/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 4/20 0.44
KMT2A Q03164 5/20 0.44
ATM Q13315 1/20 0.44
ABCB1 P08183 4/20 0.43
ABCG2 Q9UNQ0 2/20 0.43
MEN1 O00255 3/20 0.43
MAPT P10636 3/20 0.43
RAB9A P51151 2/20 0.43
GAA P10253 1/20 0.43
MAPK1 P28482 2/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
TSHR P16473 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 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
SCHEMBL520569 0.85 L3MBTL1 (0.43) L3MBTL1ALDH1A1NPSR1KDM4EKMT2A
SCHEMBL2060763 0.85 ALDH1A1 (0.51) L3MBTL1ALDH1A1NPSR1KDM4EKMT2A
SCHEMBL2060677 0.85 DRD2 (0.54) L3MBTL1ALDH1A1NPSR1KDM4EKMT2A
SCHEMBL5456103 0.84 L3MBTL1 (0.66) L3MBTL1ALDH1A1NPSR1KDM4EKMT2A
SCHEMBL2061703 0.84 ALDH1A1 (0.48) L3MBTL1ALDH1A1NPSR1KDM4EKMT2A
SCHEMBL2060918 0.83 L3MBTL1 (0.45) L3MBTL1ALDH1A1NPSR1KDM4EKMT2A
SCHEMBL2062206 0.81 L3MBTL1 (0.52) L3MBTL1ALDH1A1KDM4EKMT2AMEN1
SCHEMBL2060786 0.80 ABCB1 (0.50) L3MBTL1ALDH1A1KDM4EKMT2AABCB1
SCHEMBL2061285 0.80 POLB (0.50) ALDH1A1KMT2AABCB1ABCG2MEN1
SCHEMBL519439 0.79 DRD2 (0.47) L3MBTL1KDM4EABCB1ABCG2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2684874-B1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors CEPHALON INC (US) 2017-05-17 EP disclosed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed
EP-2376491-B1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON INC (US) 2015-03-04 EP disclosed
EP-2684874-A1 Fused bicyclic derivatives of 2,4-diaminopyrimidine as alk and C-met inhibitors Cephalon, Inc. (US) 2014-01-15 EP disclosed
US-8552186-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-MET inhibitors CEPHALON, INC. (US) 2013-10-08 US disclosed
US-8471005-B2 Pyrrolotriazines as ALK and JAK2 inhibitors CEPHALON, INC. (US) 2013-06-25 US disclosed
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors CEPHALON, INC. (US) 2012-06-28 US disclosed
US-8148391-B2 Fused bicyclic derivatives of 2,4-diaminopyrimidine as ALK and c-Met inhibitors CEPHALON, INC. (US) 2012-04-03 US disclosed
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-02-02 US disclosed
EP-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 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 (3 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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET L3MBTL1 712/4885ALDH1A1 77/4885NPSR1 3608/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET L3MBTL1 712/4885ALDH1A1 77/4885NPSR1 3608/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 L3MBTL1 2484/4885ALDH1A1 779/4885NPSR1 2629/4885

“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.