SCHEMBL2062235

SCHEMBL2062235

COCCN1C(=O)CCCc2ccc([N+](=O)[O-])cc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.44
GRIN2B Q13224 1/20 0.44
POLB P06746 3/20 0.44
TDP1 Q9NUW8 2/20 0.44
APEX1 P27695 1/20 0.44
CASP6 P55212 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
KMT2A Q03164 3/20 0.41
MEN1 O00255 2/20 0.41
HTR1A P08908 3/20 0.39
ALDH1A1 P00352 5/20 0.39
GAA P10253 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
INSR P06213 1/20 0.39
MET P08581 1/20 0.39
DRD1 P21728 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
DRD2 P14416 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
SCHEMBL2061766 0.91 POLB (0.47) GRIN1GRIN2BPOLBTDP1APEX1
SCHEMBL2061996 0.86 TDP1 (0.49) GRIN1GRIN2BPOLBTDP1APEX1
SCHEMBL18421420 0.83 GRIN1 (0.51) GRIN1GRIN2BPOLBTDP1APEX1
SCHEMBL2062242 0.81 INSR (0.41) GRIN1GRIN2BPOLBTDP1APEX1
SCHEMBL4429154 0.81 REN (0.43) KMT2AMEN1HTR1AALDH1A1SMN1; SMN2
SCHEMBL2060542 0.80 ATAD2 (0.47) POLBKMT2AMEN1GAASMN1; SMN2
SCHEMBL9593170 0.79 CASP6 (0.52) GRIN1GRIN2BPOLBTDP1APEX1
SCHEMBL30672820 0.79 GAA (0.48) GRIN1GRIN2BPOLBTDP1APEX1
SCHEMBL16370713 0.79 GAA (0.48) GRIN1GRIN2BPOLBTDP1APEX1
SCHEMBL10152051 0.78 GRIN1 (0.50) GRIN1GRIN2BPOLBTDP1APEX1

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 GRIN1 2903/4885GRIN2B 2879/4885POLB 2680/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET GRIN1 2903/4885GRIN2B 2879/4885POLB 2680/4885

“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.