SCHEMBL521323

SCHEMBL521323

COc1c(N)ccc2c1CCC(N1CCOCC1)CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 6/20 0.42
INSR P06213 3/20 0.42
NUAK1 O60285 1/20 0.42
CHEK2 O96017 1/20 0.42
FES P07332 1/20 0.42
FER P16591 1/20 0.42
FLT4 P35916 1/20 0.42
FLT3 P36888 1/20 0.42
MAPK8 P45983 1/20 0.42
RPS6KA3 P51812 1/20 0.42
PTK2 Q05397 1/20 0.42
TNK2 Q07912 1/20 0.42
MAP4K2 Q12851 1/20 0.42
PTK6 Q13882 1/20 0.42
RPS6KA2 Q15349 1/20 0.42
RPS6KA1 Q15418 1/20 0.42
RPS6KA6 Q9UK32 1/20 0.42
OPRL1 P41146 2/20 0.38
IRAK4 Q9NWZ3 2/20 0.34
GRIN2B Q13224 1/20 0.34

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
SCHEMBL2061719 1.00 ALK (0.42) ALKINSRNUAK1CHEK2FES
SCHEMBL2060265 0.87 ALK (0.41) ALKGRIN2BHTR1D
SCHEMBL2061367 0.86 HTR2C (0.38) ALKHTR1DHRH3
SCHEMBL2062093 0.85 ALK (0.40) ALKGRIN2BHTR1D
SCHEMBL521285 0.84 ALK (0.45) ALKINSRNUAK1CHEK2FES
SCHEMBL2063723 0.84 ALK (0.45) ALKINSRPTK2
SCHEMBL4212781 0.84 ALK (0.39) ALKINSRNUAK1CHEK2FES
SCHEMBL2061586 0.82 ADRA1A (0.38) ALKINSRNUAK1CHEK2FES
SCHEMBL2061657 0.81 HTT (0.41) ALKINSRNUAK1CHEK2FES
SCHEMBL15440819 0.79 MAPT (0.35) ALKINSRNUAK1CHEK2FES

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 16 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-2686323-A1 MACROCYCLIC COMPOUNDS AS ALK, FAK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2014-01-22 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
WO-2012125603-A1 MACROCYCLIC COMPOUNDS AS ALK, FAK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2012-09-20 WO 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 241/4885NUAK1 2334/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET ALK 1/4885INSR 241/4885NUAK1 2334/4885
US-20120028919-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS JAK2, ALK, ABL1 ALK 2/4885INSR 1738/4885NUAK1 2136/4885

“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.