SCHEMBL2061522

SCHEMBL2061522

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

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 4/20 0.51
LMNA P02545 2/20 0.49
MAPT P10636 1/20 0.49
HTT P42858 1/20 0.49
ABCB1 P08183 5/20 0.47
RAB9A P51151 2/20 0.46
ABCC1 P33527 1/20 0.46
TAAR1 Q96RJ0 1/20 0.43
NPC1 O15118 1/20 0.43
SIRT6 Q8N6T7 1/20 0.42
ABCG2 Q9UNQ0 1/20 0.42
ALDH1A1 P00352 2/20 0.41
CYP2D6 P10635 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL2061307 0.91 TMEM97 (0.50) TMEM97LMNAMAPTHTTABCB1
SCHEMBL2061820 0.84 ALDH1A1 (0.58) TMEM97LMNAMAPTHTTABCB1
SCHEMBL2061698 0.82 TMEM97 (0.47) TMEM97LMNAMAPTHTTABCB1
SCHEMBL2061700 0.82 TMEM97 (0.47) TMEM97LMNAMAPTHTTABCB1
SCHEMBL2060256 0.82 ABCB1 (0.49) TMEM97ABCB1RAB9AABCC1TAAR1
SCHEMBL2574136 0.81 SIRT6 (0.57) TMEM97LMNAMAPTHTTRAB9A
SCHEMBL24729539 0.81 ABCB1 (0.54) TMEM97LMNAMAPTHTTABCB1
SCHEMBL29557909 0.81 ABCB1 (0.54) TMEM97LMNAMAPTHTTABCB1
SCHEMBL2060800 0.81 ABCB1 (0.49) TMEM97ABCB1RAB9AABCC1TAAR1
SCHEMBL2204747 0.80 TMEM97 (0.57) TMEM97ABCB1RAB9AABCC1TAAR1

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 TMEM97 3361/4885LMNA 3814/4885MAPT 3881/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET TMEM97 3361/4885LMNA 3814/4885MAPT 3881/4885

“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.