SCHEMBL2949686

SCHEMBL2949686

CN1CCN(c2ccc(Nc3ncc([N+](=O)[O-])cn3)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.63
SIRT6 Q8N6T7 1/20 0.61
EIF2AK2 P19525 1/20 0.58
LMNA P02545 1/20 0.56
EGFR P00533 2/20 0.55
LCK P06239 2/20 0.54
MAPK14 Q16539 2/20 0.54
ALK Q9UM73 1/20 0.53
PLK1 P53350 2/20 0.52
MAPKAPK2 P49137 1/20 0.52
CDK4 P11802 4/20 0.51
CCND1 P24385 4/20 0.51
CCND2 P30279 4/20 0.51
CCND3 P30281 4/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CCNB2 O95067 1/20 0.51
CCNE2 O96020 1/20 0.51
CDK1 P06493 1/20 0.51
FGFR1 P11362 1/20 0.51

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
SCHEMBL14847406 0.81 EGFR (0.62) BRD4SIRT6EGFRALKPLK1
SCHEMBL5995313 0.81 L3MBTL1 (0.54) MAPK14CDK4CCND1CCND3MAPT
SCHEMBL12064871 0.80 EGFR (0.69) BRD4EGFRALKPLK1CCND3
SCHEMBL2951187 0.80 LCK (0.74) BRD4EIF2AK2LCKMAPK14
SCHEMBL2951233 0.80 ALK (0.62) BRD4EGFRLCKMAPK14ALK
SCHEMBL30463630 0.80 ALK (0.65) BRD4EGFRLCKMAPK14ALK
SCHEMBL2961783 0.80 EGFR (0.60) EGFRLCKMAPK14ALKCDK4
SCHEMBL14001924 0.79 EGFR (0.72) BRD4EGFRALKPLK1CDK4
SCHEMBL1706620 0.78 EGFR (0.74) BRD4EGFRALKJAK2FLT3
SCHEMBL30306539 0.78 BRD4 (1.00) BRD4ALKJAK2FLT3

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928844-B1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2014-04-23 EP disclosed
US-8492404-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2013-07-23 US disclosed
US-8492404-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2013-07-23 US disclosed
US-8492404-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2013-07-23 US disclosed
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-09-16 US disclosed
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-09-16 US disclosed
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-09-16 US disclosed
US-7754717-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2010-07-13 US disclosed
US-7754717-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2010-07-13 US disclosed
US-7754717-B2 Bis-aryl amide compounds and methods of use AMGEN INC. (US) 2010-07-13 US disclosed
EP-1928844-A2 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE Amgen, Inc (US) 2008-06-11 EP disclosed
US-20070072862-A1 Bis-aryl amide compounds and methods of use AMGEN INC. 2007-03-29 US disclosed
US-20070072862-A1 Bis-aryl amide compounds and methods of use AMGEN INC. 2007-03-29 US disclosed
US-20070072862-A1 Bis-aryl amide compounds and methods of use AMGEN INC. 2007-03-29 US disclosed
WO-2007022380-A2 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-02-22 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-20070072862-A1 Bis-aryl amide compounds and methods of use LCK, BTK, IRAK1 BRD4 800/4885SIRT6 1537/4885EIF2AK2 924/4885
US-20100234373-A1 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE LCK, BTK, IRAK1 BRD4 800/4885SIRT6 1537/4885EIF2AK2 924/4885

“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.