SCHEMBL2060410

SCHEMBL2060410

O=C1NCCNc2cccc([N+](=O)[O-])c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.47
KMT2A Q03164 3/20 0.46
MAPT P10636 3/20 0.46
RECQL P46063 1/20 0.46
MCL1 Q07820 1/20 0.46
RXFP1 Q9HBX9 1/20 0.46
ACHE P22303 1/20 0.44
PTPRC P08575 1/20 0.44
TDP1 Q9NUW8 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
GPR35 Q9HC97 1/20 0.40
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
PARP1 P09874 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL4718488 0.79 ACHE (0.50) S100A4KMT2AMAPTRECQLMCL1
SCHEMBL31357065 0.77 TDP1 (0.45) S100A4KMT2AMAPTRECQLMCL1
SCHEMBL9501421 0.77 TDP1 (0.45) S100A4KMT2AMAPTRECQLMCL1
SCHEMBL2061190 0.76 S100A4 (0.41) S100A4KMT2AMAPTRECQLMCL1
SCHEMBL2060702 0.76 ACHE (0.41) S100A4KMT2AMAPTRECQLMCL1
SCHEMBL2945660 0.76 S100A4 (0.41) S100A4KMT2AMAPTRECQLMCL1
SCHEMBL1585545 0.75 ACHE (0.53) S100A4KMT2AMAPTRECQLMCL1
SCHEMBL2062086 0.73 S100A4 (0.47) S100A4KMT2AMAPTRECQLMCL1
SCHEMBL2945661 0.73 GAA (0.42) S100A4KMT2AMAPTRECQLMCL1
SCHEMBL256723 0.72 MAPT (0.45) KMT2AMAPTTDP1SMN1; SMN2GPR35

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 11 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
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
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 S100A4 2530/4885KMT2A 501/4885MAPT 3881/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET S100A4 2530/4885KMT2A 501/4885MAPT 3881/4885

“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.