SCHEMBL2061845

SCHEMBL2061845

CN(C)C(=O)N1CCc2ccc(N)cc2CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.53
HSD17B3 P37058 1/20 0.43
BRD4 O60885 1/20 0.40
ATAD2 Q6PL18 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HDAC6 Q9UBN7 1/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 2/20 0.38
NOTUM Q6P988 1/20 0.38
HRH4 Q9H3N8 2/20 0.38
MAPT P10636 1/20 0.38
PKM P14618 1/20 0.37
KDM4E B2RXH2 1/20 0.37
BAZ2B Q9UIF8 1/20 0.36
ABCB1 P08183 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
MEN1 O00255 1/20 0.36
NLRP3 Q96P20 1/20 0.36

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
SCHEMBL2310027 0.82 NR1H2 (0.57) NR1H2HSD17B3BRD4ATAD2HDAC6
SCHEMBL17797658 0.80 NR1H2 (0.55) NR1H2HSD17B3BRD4ATAD2ALDH1A1
SCHEMBL11760982 0.80 CA1 (0.54) ALDH1A1TSHRKMT2APKMBAZ2B
SCHEMBL6295386 0.78 NR1H2 (0.60) NR1H2HSD17B3BRD4ATAD2ALDH1A1
SCHEMBL521473 0.78 DRD2 (0.57) NR1H2HSD17B3ALDH1A1
SCHEMBL7749897 0.77 ADRB2 (0.54) NR1H2HSD17B3BRD4ATAD2ALDH1A1
SCHEMBL2061374 0.77 HPGD (0.47) ALDH1A1KMT2AHRH4MAPTBAZ2B
SCHEMBL30561545 0.76 NR1H2 (0.66) NR1H2HSD17B3BRD4ATAD2KMT2A
SCHEMBL397687 0.76 NR1H2 (0.66) NR1H2HSD17B3BRD4ATAD2KMT2A
SCHEMBL3858227 0.76 NOTUM (0.63) NR1H2HSD17B3HDAC6KMT2ANOTUM

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 NR1H2 4438/4885HSD17B3 4203/4885BRD4 863/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET NR1H2 4438/4885HSD17B3 4203/4885BRD4 863/4885

“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.