SCHEMBL2061671

SCHEMBL2061671

CNC(=O)c1ccc(Cl)cc1Nc1nc(Cl)ncc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 3/20 0.55
CDK7 P50613 1/20 0.47
CDK9 P50750 1/20 0.47
ALK Q9UM73 5/20 0.46
MET P08581 4/20 0.46
PTK2 Q05397 7/20 0.45
MAPK8 P45983 1/20 0.45
MAPK9 P45984 1/20 0.45
MAPK10 P53779 1/20 0.45
INSR P06213 1/20 0.45
IGF1R P08069 1/20 0.45
PTK2B Q14289 1/20 0.45
PKMYT1 Q99640 1/20 0.45
LRRK2 Q5S007 1/20 0.44
SLC2A1 P11166 1/20 0.44
NUDT1 P36639 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL2060443 0.88 ULK1 (0.53) ULK1CDK7CDK9ALKMET
SCHEMBL1202667 0.88 ULK1 (0.53) ULK1CDK7CDK9ALKMET
SCHEMBL2061601 0.85 ULK1 (0.50) ULK1CDK7CDK9ALKMET
SCHEMBL2062431 0.85 ULK1 (0.50) ULK1CDK7CDK9ALKMET
SCHEMBL375355 0.85 ULK1 (0.74) ULK1CDK7CDK9ALKMET
SCHEMBL2061668 0.84 ULK1 (0.49) ULK1CDK7CDK9ALKMET
SCHEMBL1202530 0.82 ZAP70 (0.54) ULK1CDK7CDK9ALKMET
SCHEMBL2060447 0.81 ULK1 (0.54) ULK1CDK7CDK9ALKMET
SCHEMBL2060718 0.81 ULK1 (0.47) ULK1CDK7CDK9ALKMET
SCHEMBL375776 0.81 ULK1 (0.53) ULK1CDK7CDK9ALKMET

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 9 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-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 ULK1 3372/4885CDK7 570/4885CDK9 539/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET ULK1 3372/4885CDK7 570/4885CDK9 539/4885

“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.