SCHEMBL2749099

SCHEMBL2749099

CN(C)CCCN(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.46
MAPK1 P28482 3/20 0.46
CYP3A4 P08684 3/20 0.46
TSHR P16473 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
HCAR3 P49019 1/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
GAA P10253 2/20 0.42
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
HIF1A Q16665 1/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
HPD P32754 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL2297369 0.90 HCAR3 (0.43) MAPTMAPK1CYP3A4TSHRTDP1
SCHEMBL1265187 0.88 HCAR3 (0.46) MAPTMAPK1TDP1HCAR3LMNA
SCHEMBL7954120 0.85 ALDH1A1 (0.62) MAPTMAPK1CYP3A4TSHRTDP1
SCHEMBL2976168 0.80 VCAM1 (0.48) MAPTMAPK1CYP3A4TSHRTDP1
SCHEMBL5570150 0.80 ALDH1A1 (0.54) MAPTMAPK1CYP3A4TSHRTDP1
SCHEMBL1263855 0.80 HCAR3 (0.48) MAPTHCAR3KMT2AALDH1A1KDM4E
SCHEMBL2971735 0.80 ALDH1A1 (0.56) MAPTMAPK1TSHRTDP1HCAR3
SCHEMBL1264889 0.78 GAA (0.53) MAPTMAPK1CYP3A4TSHRTDP1
SCHEMBL1164779 0.77 MAPT (0.51) MAPTMAPK1CYP3A4TSHRTDP1
SCHEMBL1408112 0.77 ALDH1A1 (0.46) MAPTMAPK1KMT2ALMNAALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822514-B2 Multi-cyclic compounds and methods of use AMGEN INC. (US) 2014-09-02 US disclosed
US-20120245206-A1 MULTI-CYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2012-09-27 US disclosed
US-8236823-B2 Multi-cyclic compounds and methods of use AMGEN INC. (US) 2012-08-07 US disclosed
US-8178557-B2 Compounds and methods of use AMGEN INC. (US) 2012-05-15 US disclosed
US-20090176774-A1 Compounds and methods of use AMGEN INC. (US) 2009-07-09 US disclosed
US-20080255205-A1 protein kinase receptors (like Tie-2 and Aurora) modulators; to treat cancer, inflammation and related disorders; to regulate active angiogenesis, cell-signal transduction; 5-(3-(1H-tetrazol-5-yl)pyridin-2-yloxy)-N-(3-chlorobenzyl)-2-fluorobenzamide AMGEN INC. (US) 2008-10-16 US disclosed
US-7435823-B2 Compounds and methods of use AMGEN INC. (US) 2008-10-14 US disclosed
WO-2008057280-A1 MULTI-CYCLIC COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2008-05-15 WO disclosed
US-20060241115-A1 Compounds and methods of use AMGEN INC. 2006-10-26 US disclosed
EP-1713484-A2 COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2006-10-25 EP disclosed
WO-2005070891-A2 COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2005-08-04 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 (4 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-20060241115-A1 Compounds and methods of use HGF, HGFAC, MET MAPT 2653/4885MAPK1 1668/4885CYP3A4 348/4885
US-20120245206-A1 MULTI-CYCLIC COMPOUNDS AND METHODS OF USE TIE1, FLT4, CDK1 MAPT 1638/4885MAPK1 353/4885CYP3A4 2284/4885
US-20090176774-A1 Compounds and methods of use HGF, HGFAC, MET MAPT 2653/4885MAPK1 1668/4885CYP3A4 348/4885
US-20080255205-A1 protein kinase receptors (like Tie-2 and Aurora) modulators; to treat cancer, inflammation and related disorders; to regulate active angiogenesis, cell-signal transduction; 5-(3-(1H-tetrazol-5-yl)pyridin-2-yloxy)-N-(3-chlorobenzyl)-2-fluorobenzamide TIE1, AURKB, TEK MAPT 1388/4885MAPK1 278/4885CYP3A4 3268/4885

“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.