SCHEMBL2061297

SCHEMBL2061297

CN(C)CC(=O)N1CCCC(C)(C)c2ccc(N)cc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
IGF1R P08069 1/20 0.36
GRK2 P25098 1/20 0.36
GRK5 P34947 1/20 0.36
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
HTT P42858 2/20 0.35
ESR1 P03372 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
XIAP P98170 2/20 0.32
BIRC2 Q13490 2/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.32
GFER P55789 1/20 0.32
YWHAG P61981 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL448190 0.85 BIRC2 (0.41) MAPTALDH1A1KMT2AHTTESR1
SCHEMBL2061709 0.84 DRD2 (0.39) MAPTALDH1A1KMT2ASMN1; SMN2MEN1
SCHEMBL2061970 0.83 ALDH1A1 (0.42) BRD4ATAD2ALDH1A1XIAPBIRC2
SCHEMBL394831 0.82 NOTUM (0.42) BRD4ATAD2MAPTKMT2AHTT
SCHEMBL8617335 0.80 BRD4 (0.59) BRD4ATAD2IGF1RMAPTALDH1A1
SCHEMBL11988471 0.79 IGF1R (0.39) IGF1RGRK2GRK5MAPTALDH1A1
SCHEMBL2062237 0.79 BRD4 (0.40) BRD4ATAD2MAPTALDH1A1KMT2A
SCHEMBL2062082 0.78 ALDH1A1 (0.41) ALDH1A1KMT2AHTTSMN1; SMN2KDM4E
SCHEMBL12693443 0.77 BRD4 (0.36) BRD4ATAD2MAPTALDH1A1KMT2A
SCHEMBL2204206 0.77 BRD4 (0.48) BRD4ATAD2IGF1RMAPTALDH1A1

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 BRD4 863/4885ATAD2 3694/4885IGF1R 66/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET BRD4 863/4885ATAD2 3694/4885IGF1R 66/4885

“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.