SCHEMBL521285

SCHEMBL521285

COc1c(N)ccc2c1CC(N1CCOCC1)CCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 5/20 0.45
INSR P06213 3/20 0.38
HTR1D P28221 2/20 0.37
OPRL1 P41146 2/20 0.36
SIGMAR1 Q99720 1/20 0.35
BACE1 P56817 2/20 0.34
CTSE P14091 1/20 0.34
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
NUAK1 O60285 1/20 0.33
CHEK2 O96017 1/20 0.33
FES P07332 1/20 0.33
FER P16591 1/20 0.33
FLT4 P35916 1/20 0.33
FLT3 P36888 1/20 0.33
MAPK8 P45983 1/20 0.33
RPS6KA3 P51812 1/20 0.33
PTK2 Q05397 1/20 0.33
TNK2 Q07912 1/20 0.33
MAP4K2 Q12851 1/20 0.33

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
SCHEMBL2063723 0.91 ALK (0.45) ALKINSRSIGMAR1PTK2
SCHEMBL521323 0.84 ALK (0.42) ALKINSRHTR1DOPRL1BACE1
SCHEMBL2061719 0.84 ALK (0.42) ALKINSRHTR1DOPRL1BACE1
SCHEMBL2061632 0.82 ALK (0.42) ALKINSR
SCHEMBL2062693 0.80 ADRA1A (0.47) SIGMAR1
SCHEMBL16571330 0.78 ALK (0.43) ALKINSRSIGMAR1PTK2
SCHEMBL2061402 0.78 SIGMAR1 (0.52) SIGMAR1
SCHEMBL520498 0.75 RAD52 (0.38) SIGMAR1
SCHEMBL15271900 0.74 ALK (0.40) ALKINSRSIGMAR1PTK2
SCHEMBL16386501 0.73 ALK (0.52) ALKINSRSIGMAR1PTK2

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 14 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-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP 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
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO 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 ALK 1/4885INSR 241/4885HTR1D 837/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET ALK 1/4885INSR 241/4885HTR1D 837/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 ALK 2/4885INSR 1738/4885HTR1D 3024/4885

“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.