SCHEMBL2061980

SCHEMBL2061980

COc1cc(N2CCOCC2)ccc1Nc1nc(Nc2ccc(OC)c3c2N(C)C(=O)CCC3)ncc1Cl

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALK Q9UM73 13/20 0.72
INSR P06213 8/20 0.72
LRRK2 Q5S007 3/20 0.65
MAPK8 P45983 2/20 0.64
MAPK9 P45984 2/20 0.64
MAPK10 P53779 2/20 0.64
EGFR P00533 2/20 0.63
IGF1R P08069 2/20 0.63
CDC7 O00311 1/20 0.63
PLK4 O00444 1/20 0.63
CHEK1 O14757 1/20 0.63
AURKA O14965 1/20 0.63
DCLK1 O15075 1/20 0.63
PDPK1 O15530 1/20 0.63
DAPK3 O43293 1/20 0.63
DYRK3 O43781 1/20 0.63
JAK2 O60674 1/20 0.63
PRKD3 O94806 1/20 0.63
PAK4 O96013 1/20 0.63
CHEK2 O96017 1/20 0.63

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
SCHEMBL886382 0.90 ALK (0.81) ALKINSRLRRK2MAPK8MAPK9
SCHEMBL2061154 0.89 ALK (0.83) ALKINSRLRRK2MAPK8MAPK9
SCHEMBL2062298 0.82 ALK (1.00) ALKINSRLRRK2MAPK8MAPK9
SCHEMBL2062167 0.82 ALK (0.88) ALKINSRLRRK2MAPK8MAPK9
SCHEMBL2060696 0.81 ALK (0.72) ALKINSRLRRK2MAPK8MAPK9
SCHEMBL885882 0.81 ALK (0.80) ALKINSRLRRK2MAPK8MAPK9
SCHEMBL18650996 0.80 ALK (0.85) ALKINSRLRRK2MAPK8MAPK9
SCHEMBL12311873 0.80 LRRK2 (1.00) ALKINSRLRRK2MAPK8MAPK9
SCHEMBL11916449 0.80 ALK (0.84) ALKINSRLRRK2MAPK8MAPK9
SCHEMBL2061780 0.79 ALK (0.71) ALKINSRLRRK2MAPK8MAPK9

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 claimed
EP-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP claimed
US-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS CEPHALON, INC. (US) 2009-09-03 US claimed
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-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-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
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 (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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET ALK 1/4885INSR 241/4885LRRK2 885/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET ALK 1/4885INSR 241/4885LRRK2 885/4885

“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.