SCHEMBL2060993

SCHEMBL2060993

COc1cc2c(cc1[N+](=O)[O-])NC(=O)CN(C(C)=O)C2

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
ALDH1A1 P00352 4/20 0.41
MAPT P10636 3/20 0.41
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.38
SIRT6 Q8N6T7 1/20 0.37
POLB P06746 2/20 0.36
ABCB1 P08183 1/20 0.36
LCK P06239 1/20 0.36
RET P07949 1/20 0.36
PDGFRA P16234 1/20 0.36
KDR P35968 1/20 0.36
CHEK1 O14757 1/20 0.35

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
SCHEMBL2060562 0.87 ABHD6 (0.40) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL17197344 0.84 KMT2A (0.48) KMT2AMEN1ALDH1A1MAPTTDP1
SCHEMBL2061088 0.81 NPC1 (0.46) KMT2AMEN1MAPTABCB1
SCHEMBL2062195 0.81 POLB (0.38) ALDH1A1TDP1LMNAPOLB
SCHEMBL2062224 0.80 ALDH1A1 (0.44) ALDH1A1TDP1LMNASIRT6ABCB1
SCHEMBL2206012 0.77 CYP11B1 (0.45) ALDH1A1MAPTTDP1LMNASIRT6
SCHEMBL2061902 0.77 ABCB1 (0.38) ALDH1A1MAPTTDP1SIRT6ABCB1
SCHEMBL2061926 0.76 ACHE (0.38) ALDH1A1TDP1SIRT6ABCB1
SCHEMBL17197304 0.76 MAPT (0.56) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL17197257 0.76 MAPT (0.56) KMT2AMEN1MAPTLMNAPOLB

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 KMT2A 501/4885MEN1 484/4885ALDH1A1 77/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET KMT2A 501/4885MEN1 484/4885ALDH1A1 77/4885

“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.