SCHEMBL2063005

SCHEMBL2063005

CC(C)N1C(=O)CCCc2ccc(N)cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.42
ATAD2 Q6PL18 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2D6 P10635 1/20 0.38
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP19A1 P11511 1/20 0.37
HSD17B3 P37058 1/20 0.36
CA9 Q16790 1/20 0.34
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
HSD17B10 Q99714 2/20 0.33
CASP1 P29466 1/20 0.33
CASP7 P55210 1/20 0.33
POLB P06746 1/20 0.32
APEX1 P27695 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
SCHEMBL2061861 0.88 ATAD2 (0.49) BRD4ATAD2SMN1; SMN2CYP2C9CYP2D6
SCHEMBL27361980 0.83 BMPR1B (0.40) BRD4ATAD2SMN1; SMN2CYP2C9CYP2D6
SCHEMBL2062210 0.80 ATAD2 (0.44) BRD4ATAD2KMT2AMAPK1CYP19A1
SCHEMBL8525621 0.79 TP53 (0.40) SMN1; SMN2KMT2AHSD17B10POLBGAA
SCHEMBL8126458 0.78 ATAD2 (0.59) ATAD2SMN1; SMN2CYP2C9CYP2D6KMT2A
SCHEMBL12043660 0.78 SMN1; SMN2 (0.53) SMN1; SMN2CYP2C9CYP2D6KMT2APOLB
SCHEMBL2060507 0.76 ATAD2 (0.64) BRD4ATAD2SMN1; SMN2CYP2C9KMT2A
SCHEMBL2062220 0.75 RARA (0.43) ATAD2SMN1; SMN2CYP2C9CYP2D6CYP19A1
SCHEMBL2061464 0.75 ATAD2 (0.47) BRD4ATAD2KMT2AMAPK1HSD17B3
SCHEMBL21468466 0.74 S100B (0.37) SMN1; SMN2CYP2C9CYP2D6MAPK1CYP19A1

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 3694/4885SMN1; SMN2 2836/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET BRD4 863/4885ATAD2 3694/4885SMN1; SMN2 2836/4885

“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.