SCHEMBL2060652

SCHEMBL2060652

COc1cc2c(cc1[N+](=O)[O-])CCN(C(C)C)CC2

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.51
HRH3 Q9Y5N1 1/20 0.49
RAB9A P51151 2/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 2/20 0.46
NPC1 O15118 1/20 0.46
SIRT6 Q8N6T7 1/20 0.46
LMNA P02545 4/20 0.45
ALDH1A1 P00352 3/20 0.45
MAPT P10636 4/20 0.45
HTT P42858 2/20 0.45
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ABCB1 P08183 3/20 0.42
ABCC1 P33527 1/20 0.42

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
SCHEMBL29520481 0.93 RAB9A (0.50) TDP1HRH3RAB9AKMT2AMEN1
SCHEMBL29651111 0.93 RAB9A (0.50) TDP1HRH3RAB9AKMT2AMEN1
SCHEMBL2201533 0.93 RAB9A (0.50) TDP1HRH3RAB9AKMT2AMEN1
SCHEMBL27175304 0.93 RAB9A (0.50) TDP1HRH3RAB9AKMT2AMEN1
SCHEMBL2574136 0.85 SIRT6 (0.57) TDP1RAB9AKMT2AMEN1NPC1
SCHEMBL2203986 0.84 RAB9A (0.47) TDP1RAB9AKMT2AMEN1NPC1
SCHEMBL2061329 0.84 RAB9A (0.44) TDP1RAB9AKMT2AMEN1NPC1
SCHEMBL2060239 0.84 RAB9A (0.46) TDP1RAB9AKMT2AMEN1NPC1
SCHEMBL20939331 0.80 MAOA (0.67) RAB9AKMT2AMEN1NPC1SIRT6
SCHEMBL2061820 0.80 ALDH1A1 (0.58) RAB9AKMT2AMEN1NPC1SIRT6

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 1885/4885HRH3 703/4885RAB9A 2927/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET TDP1 1885/4885HRH3 703/4885RAB9A 2927/4885

“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.