SCHEMBL2060201

SCHEMBL2060201

CC(C)N1CCNC(=O)c2ccc([N+](=O)[O-])cc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.42
ALDH1A1 P00352 6/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
MCOLN3 Q8TDD5 1/20 0.40
TDP2 O95551 1/20 0.40
NR1H2 P55055 1/20 0.39
NR1H3 Q13133 1/20 0.39
PTPRC P08575 3/20 0.39
S100A4 P26447 2/20 0.39
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
CES1 P23141 1/20 0.38
LMNA P02545 3/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.38
NCOA1 Q15788 1/20 0.38
NCOA3 Q9Y6Q9 1/20 0.38

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
SCHEMBL2061012 0.83 TDP1 (0.45) TDP1CYP3A4ALDH1A1TDP2NR1H2
SCHEMBL2061213 0.80 TDP1 (0.42) TDP1CYP3A4ALDH1A1TDP2NR1H2
SCHEMBL2062902 0.79 CDC7 (0.37) TDP1CYP3A4ALDH1A1HPGDNPSR1
SCHEMBL15403728 0.77 TDP1 (0.42) TDP1CYP3A4ALDH1A1NPSR1TDP2
SCHEMBL2060905 0.75 CASP3 (0.50) TDP1CYP3A4ALDH1A1NR1H2NR1H3
SCHEMBL2061859 0.73 MAPT (0.40) TDP1CYP3A4ALDH1A1NR1H2NR1H3
SCHEMBL7036155 0.72 ALDH1A1 (0.46) TDP1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL6176185 0.72 ROCK1 (0.48) TDP1ALDH1A1LMNASMN1; SMN2MAPT
SCHEMBL2062202 0.70 TDP1 (0.53) TDP1CYP3A4ALDH1A1TDP2PTPRC
SCHEMBL7398458 0.70 SIRT6 (0.44) TDP1CYP3A4ALDH1A1NR1H2NR1H3

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 TDP1 1885/4885CYP3A4 1129/4885ALDH1A1 77/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET TDP1 1885/4885CYP3A4 1129/4885ALDH1A1 77/4885

“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.