SCHEMBL2061822

SCHEMBL2061822

O=c1oc2ccc([N+](=O)[O-])cc2n1CCCCl

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 3/20 0.64
▸ CDYL2 Q8N8U2 1/20 0.48
▸ CDYL Q9Y232 1/20 0.48
▸ CDY1; CDY1B Q9Y6F8 1/20 0.48
▸ KMO O15229 1/20 0.46
▸ THRB P10828 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ TMEM97 Q5BJF2 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ NPC1 O15118 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ ASAH1 Q13510 1/20 0.44
▸ MAPT P10636 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ L3MBTL1 Q9Y468 2/20 0.44
▸ TP53 P04637 1/20 0.44

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
SCHEMBL2060899 0.90 IDO1 (0.51) IDO1ALDH1A1NPSR1TSHRRAB9A
SCHEMBL11135151 0.82 KMO (0.56) IDO1CDYL2CDYLCDY1; CDY1BKMO
SCHEMBL11138199 0.81 KMO (0.55) IDO1CDYL2CDYLCDY1; CDY1BKMO
SCHEMBL11138216 0.81 IDO1 (0.54) IDO1CDYL2CDYLCDY1; CDY1BKMO
SCHEMBL8561633 0.81 IDO1 (0.59) IDO1CDYL2CDYLCDY1; CDY1BKMO
SCHEMBL18171790 0.79 IDO1 (0.79) IDO1MEN1NPC1KMT2AASAH1
SCHEMBL6408019 0.79 TMEM97 (0.66) IDO1CDYL2CDYLCDY1; CDY1BTMEM97
SCHEMBL10507200 0.78 IDO1 (0.63) IDO1CDYL2CDYLCDY1; CDY1BKMO
SCHEMBL11135042 0.78 IDO1 (0.51) IDO1CDYL2CDYLCDY1; CDY1BKMO
SCHEMBL2149143 0.78 CD74 (0.62) IDO1CDYL2CDYLCDY1; CDY1BTHRB

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 22 patents — showing the first 20. 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
US-7985748-B2 ALPHA2C adrenoreceptor agonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2011-07-26 — — US disclosed
US-7985748-B2 ALPHA2C adrenoreceptor agonists PHARMACOPEIA DRUG DISCOVERY, INC. (US) 2011-07-26 — — 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
EP-1934203-B1 3,4-dihydro-2H-benzo[1,4]oxazine and 3,4-dihydro-2H-benzo[1,4]thiazine COMPOUNDS AS ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORP (US) 2010-08-18 — — EP disclosed
US-7700592-B2 α2C adrenoreceptor agonists SCHERING CORPORATION (US) 2010-04-20 — — US disclosed
US-7700592-B2 α2C adrenoreceptor agonists SCHERING CORPORATION (US) 2010-04-20 — — US 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-2008100463-A1 3,4-DIHYDR0-L,4-BENZ0XAZINE, 3, 4-DIHYDR0-1, 4-BENZOTHIAZINE AND 1,2,3,4-TETRAHYDRO-QUINOXALINE DERIVATIVES AS ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2008-08-21 — — WO 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
US-20080039439-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION 2008-02-14 — — US disclosed
US-20080039439-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION 2008-02-14 — — US disclosed
US-20070093477-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. 2007-04-26 — — US disclosed
US-20070093477-A1 Alpha2C adrenoreceptor agonists SCHERING CORPORATION AND PHARMACOPEIA DRUG DISCOVERY, INC. 2007-04-26 — — US disclosed
WO-2007024949-A2 ALPHA2C ADRENORECEPTOR AGONISTS SCHERING CORPORATION (US) 2007-03-01 — — 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-20090221555-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND c-MET INHIBITORS ALK, MET, RET IDO1 3855/4885CDYL2 824/4885CDYL 806/4885
US-20070093477-A1 Alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A IDO1 2751/4885CDYL2 1434/4885CDYL 2827/4885
US-20080039439-A1 Alpha2C adrenoreceptor agonists ADRA2C, ADRB2, ADRA2A IDO1 2751/4885CDYL2 1434/4885CDYL 2827/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET IDO1 3855/4885CDYL2 824/4885CDYL 806/4885

“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.

Send feedback