SCHEMBL2061925

SCHEMBL2061925

COC(=O)c1c(NCCNC(=O)OC(C)(C)C)cccc1[N+](=O)[O-]

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 1/20 0.47
MALT1 Q9UDY8 1/20 0.42
BCHE P06276 1/20 0.41
DDB1 Q16531 1/20 0.40
CRBN Q96SW2 1/20 0.40
MAPK1 P28482 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MEN1 O00255 1/20 0.39
KAT2B Q92831 2/20 0.39
ALDH1A1 P00352 3/20 0.39
NQO2 P16083 1/20 0.39
BRD4 O60885 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
DRD2 P14416 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
SCHEMBL2062578 0.90 NPC1 (0.46) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL2982740 0.86 NPC1 (0.59) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL29655446 0.86 NPC1 (0.59) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL30163655 0.84 NPC1 (0.49) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL26977894 0.83 NQO2 (0.52) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL283122 0.81 SMN1; SMN2 (0.43) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL1062316 0.80 MAPT (0.47) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL2245654 0.80 MAPT (0.56) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL30849526 0.79 ALDH1A1 (0.61) NPC1RAB9ASMN1; SMN2KMT2ALMNA
SCHEMBL14609884 0.78 KAT2B (0.57) NPC1RAB9ASMN1; SMN2KMT2ALMNA

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 NPC1 3414/4885RAB9A 2927/4885SMN1; SMN2 2836/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET NPC1 3414/4885RAB9A 2927/4885SMN1; SMN2 2836/4885

“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.