SCHEMBL10229482

SCHEMBL10229482

CN1CCN(C)c2cccc([N+](=O)[O-])c2C1=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
GAA P10253 3/20 0.46
S100A4 P26447 2/20 0.45
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 2/20 0.44
RECQL P46063 2/20 0.44
MCL1 Q07820 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ACHE P22303 1/20 0.42
TDP1 Q9NUW8 3/20 0.42
PTPRC P08575 1/20 0.41
HTT P42858 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
HTR7 P34969 1/20 0.40
HTR6 P50406 1/20 0.40
CA1 P00915 1/20 0.39

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
SCHEMBL1560002 0.80 ACHE (0.48) LMNAGAAS100A4KMT2AMAPT
SCHEMBL30559664 0.80 ACHE (0.48) LMNAGAAS100A4KMT2AMAPT
SCHEMBL2945661 0.80 GAA (0.42) LMNAGAAS100A4CA2CA9
Hydrochloric Acid SCHEMBL17686944 0.79 ACHE (0.47) LMNAGAAS100A4KMT2AMAPT
SCHEMBL2945660 0.77 S100A4 (0.41) LMNAGAAS100A4CA2CA9
SCHEMBL1644167 0.76 PARP1 (0.51) LMNAGAAS100A4CA2CA9
SCHEMBL30692356 0.76 PARP1 (0.51) LMNAGAAS100A4CA2CA9
SCHEMBL2060621 0.75 S100A4 (0.45) LMNAGAAS100A4CA2CA9
SCHEMBL12715028 0.75 HTR2A (0.39) KMT2AMAPTHTR2AALDH1A1POLB
SCHEMBL2478764 0.74 GAA (0.48) LMNAGAAKMT2ATDP1HTT

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-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-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-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-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 LMNA 3814/4885GAA 3538/4885S100A4 2530/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET LMNA 3814/4885GAA 3538/4885S100A4 2530/4885

“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.