SCHEMBL717841

SCHEMBL717841

O=[N+]([O-])c1ccc2c(c1)CCCCN2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.50
ADRA2A P08913 2/20 0.50
SIRT2 Q8IXJ6 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
MAPT P10636 7/20 0.46
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
CTSL P07711 1/20 0.42
GFER P55789 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 2/20 0.42
TDP2 O95551 1/20 0.41
CAPN9 O14815 1/20 0.41
CASP3 P42574 1/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 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
Hydrochloric Acid SCHEMBL6210737 0.98 PNMT (0.49) PNMTADRA2ASIRT2CA12CA1
SCHEMBL541593 0.95 CA12 (0.54) PNMTADRA2ASIRT2CA12CA1
SCHEMBL27599386 0.91 CA12 (0.50) PNMTADRA2ASIRT2CA12CA1
SCHEMBL200716 0.88 PNMT (0.58) PNMTADRA2ASIRT2CA12CA1
SCHEMBL397538 0.87 PNMT (0.50) PNMTADRA2ASIRT2CA12CA1
Ammonia Solution, Strong SCHEMBL28209706 0.87 PNMT (0.57) PNMTADRA2ASIRT2CA12CA1
Methane SCHEMBL27508397 0.87 PNMT (0.57) PNMTADRA2ASIRT2CA12CA1
SCHEMBL27408384 0.84 PNMT (0.54) PNMTADRA2ASIRT2MAPTMEN1
SCHEMBL29581896 0.82 PNMT (0.51) PNMTADRA2ASIRT2CA12CA1
SCHEMBL395008 0.82 PNMT (0.51) PNMTADRA2ASIRT2CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107652303-B Novel thienopyrimidine derivatives, preparation method and therapeutic use thereof 赛诺菲 2020-08-04 CN disclosed
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-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2012-03-01 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
WO-2010096384-A2 FUSED BENZAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS TARGACEPT, INC. (US) 2010-08-26 WO 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
US-6972286-B2 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle PHARMACIA AND UPJOHN COMPANY (US) 2005-12-06 US disclosed
US-20040186293-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle JOHNSON PAUL D (US) 2004-09-23 US disclosed
US-20040176609-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle JOHNSON PAUL D (US) 2004-09-09 US disclosed
EP-1337530-A1 OXAZOLIDINONES HAVING A BENZANNULATED 6-OR 7-MEMBERED HETEROCYCLE AS ANTIBACTERIAL AGENTS Pharmacia & Upjohn Company (US) 2003-08-27 EP disclosed
US-20020133021-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle PHARMACIA & UPJOHN COMPANY 2002-09-19 US disclosed
WO-2002059115-A1 OXAZOLIDINONES HAVING A BENZANNULATED 6-OR 7-MEMBERED HETEROCYCLE AS ANTIBACTERIAL AGENTS PHARMACIA & UPJOHN COMPANY (US) 2002-08-01 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 (6 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 PNMT 2981/4885ADRA2A 2163/4885SIRT2 4616/4885
US-20120053168-A1 FUSED BENZOAZEPINES AS NEURONAL NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS CHRNA2, CHRNA5, CHRNA10 PNMT 315/4885ADRA2A 197/4885SIRT2 631/4885
US-20020133021-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle OXA1L, CDK16, MT-ND6 PNMT 4235/4885ADRA2A 4476/4885SIRT2 628/4885
US-20040186293-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle OXA1L, CDK16, MT-ND6 PNMT 4235/4885ADRA2A 4476/4885SIRT2 628/4885
US-20120165519-A1 Fused Bicyclic Derivatives of 2,4-Diaminopyrimidine as ALK and c-MET Inhibitors ALK, MET, RET PNMT 2981/4885ADRA2A 2163/4885SIRT2 4616/4885
US-20040176609-A1 Oxazolidinones having a benzannulated 6- or 7-membered heterocycle OXA1L, CDK16, MT-ND6 PNMT 4235/4885ADRA2A 4476/4885SIRT2 628/4885

“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.