SCHEMBL2060692

SCHEMBL2060692

CN(C)c1ccc([N+](=O)[O-])c(S(=O)(=O)N(C)C)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.58
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 1/20 0.53
HTT P42858 1/20 0.53
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
CYP3A4 P08684 2/20 0.49
VCAM1 P19320 1/20 0.49
POLB P06746 1/20 0.49
PKM P14618 1/20 0.49
PDE2A O00408 1/20 0.49
PDE5A O76074 1/20 0.49
ALOX15 P16050 1/20 0.49
NFKB1 P19838 1/20 0.49
APEX1 P27695 1/20 0.49
PDE4A P27815 1/20 0.49
BLM P54132 1/20 0.49
PDE1B Q01064 1/20 0.49
PMP22 Q01453 1/20 0.49
PDE4B Q07343 1/20 0.49

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
SCHEMBL2061146 0.81 MAPT (0.55) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL2061874 0.81 VCAM1 (0.56) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL2061149 0.79 MAPT (0.53) MAPTALDH1A1KDM4EHTTMEN1
SCHEMBL31361989 0.77 MAPT (0.72) MAPTALDH1A1KDM4EHTTCYP3A4
SCHEMBL9507459 0.76 MAPT (0.66) MAPTALDH1A1KDM4EHTTCYP3A4
SCHEMBL30498944 0.76 KMT2A (0.65) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL2061708 0.76 KMT2A (0.65) ALDH1A1KDM4EHTTMEN1KMT2A
SCHEMBL7744848 0.75 TXNRD1 (0.58) MAPTVCAM1NPSR1ACHEPTGS2
SCHEMBL11886403 0.74 MAPT (1.00) MAPTALDH1A1CYP3A4NPSR1ACHE
SCHEMBL3878871 0.73 MAPT (0.61) MAPTALDH1A1HTTMEN1KMT2A

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 MAPT 3881/4885ALDH1A1 77/4885KDM4E 729/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET MAPT 3881/4885ALDH1A1 77/4885KDM4E 729/4885

“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.