SCHEMBL2060441

SCHEMBL2060441

N#CCCOc1ccccc1Nc1nc(Cl)ncc1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 3/20 0.42
CDK9 P50750 3/20 0.40
CDK7 P50613 1/20 0.40
ALK Q9UM73 6/20 0.39
INSR P06213 3/20 0.39
IGF1R P08069 2/20 0.39
MAPK9 P45984 1/20 0.37
MAPK10 P53779 1/20 0.37
CCNA2 P20248 3/20 0.36
CDK2 P24941 3/20 0.36
CCNK O75909 2/20 0.36
CCND3 P30281 2/20 0.36
CDK6 Q00534 2/20 0.36
MAPK3 P27361 1/20 0.35
BCL6 P41182 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL2060553 0.88 LRRK2 (0.43) LRRK2CDK9CDK7ALKINSR
SCHEMBL2062863 0.82 LRRK2 (0.49) LRRK2CDK9CDK7ALKINSR
SCHEMBL2062308 0.81 HTT (0.50) LRRK2CDK9CDK7ALKINSR
SCHEMBL2062486 0.80 MAPK9 (0.38) LRRK2CDK9ALKINSRIGF1R
SCHEMBL2060438 0.78 LRRK2 (0.65) LRRK2CDK9CDK7ALKINSR
SCHEMBL30395442 0.78 LRRK2 (0.65) LRRK2CDK9CDK7ALKINSR
SCHEMBL2061880 0.77 ALK (0.59) LRRK2CDK7ALKINSRIGF1R
SCHEMBL2061405 0.76 ULK1 (0.49) CDK9CDK7ALKINSRMAPK9
SCHEMBL2061116 0.75 EGFR (0.54) LRRK2CDK9ALKINSRCCNA2
SCHEMBL4094740 0.75 JAK3 (0.47) CDK9ALKINSRIGF1RMAPK9

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 LRRK2 885/4885CDK9 539/4885CDK7 570/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET LRRK2 885/4885CDK9 539/4885CDK7 570/4885

“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.