SCHEMBL3702227

SCHEMBL3702227

Nc1nnc(-c2cc(Br)ccc2Cl)c(N)n1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.54
MAOA P21397 1/20 0.54
MAPK1 P28482 1/20 0.54
ADRA1A P35348 1/20 0.54
SCN4A P35499 1/20 0.54
BLM P54132 1/20 0.54
PMP22 Q01453 1/20 0.54
PDE3A Q14432 1/20 0.54
SCN5A Q14524 1/20 0.54
SCN9A Q15858 1/20 0.54
SCN2A Q99250 1/20 0.54
SCN3A Q9NY46 1/20 0.54
SCN10A Q9Y5Y9 1/20 0.54
PABPC1 P11940 1/20 0.45
MAPT P10636 1/20 0.43
XBP1 P17861 1/20 0.43
HIF1A Q16665 1/20 0.43
CSNK1A1 P48729 1/20 0.42
CLK4 Q9HAZ1 1/20 0.42
KMT2A Q03164 2/20 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
SCHEMBL3708084 0.87 CYP2D6 (0.54) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL3701926 0.83 SCN10A (0.57) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL6373767 0.81 CYP2D6 (0.54) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL30413528 0.77 CYP2D6 (0.50) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL10811842 0.76 SCN9A (0.75) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL10984771 0.75 CYP2D6 (0.59) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL9848578 0.75 SCN9A (0.54) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL6373751 0.74 MAPK1 (0.54) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL11067545 0.74 CYP2D6 (0.50) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL17350619 0.74 CYP2D6 (0.50) CYP2D6MAOAMAPK1ADRA1ASCN4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9617228-B2 Oligomer-containing substituted aromatic triazine compounds NEKTAR THERAPEUTICS (US) 2017-04-11 US disclosed
US-20160194294-A1 OLIGOMER-CONTAINING SUBSTITUTED AROMATIC TRIAZINE COMPOUNDS NEKTAR THERAPEUTICS 2016-07-07 US disclosed
US-9266845-B2 Oligomer-containing substituted aromatic triazine compounds NEKTAR THERAPEUTICS (US) 2016-02-23 US disclosed
US-20150065706-A1 OLIGOMER-CONTAINING SUBSTITUTED AROMATIC TRIAZINE COMPOUNDS NEKTAR THERAPEUTICS 2015-03-05 US disclosed
US-8895553-B2 Oligomer-containing substituted aromatic triazine compounds NEKTAR THERAPEUTICS (US) 2014-11-25 US disclosed
US-20140256732-A1 OLIGOMER-CONTAINING SUBSTITUTED AROMATIC TRIAZINE COMPOUNDS NEKTAR THERAPEUTICS (US) 2014-09-11 US disclosed
US-8772479-B2 Oligomer-containing substituted aromatic triazine compounds NEKTAR THERAPEUTICS (US) 2014-07-08 US disclosed
US-8772479-B2 Oligomer-containing substituted aromatic triazine compounds NEKTAR THERAPEUTICS (US) 2014-07-08 US disclosed
US-20120122871-A1 Oligomer-Containing Substituted Aromatic Triazine Compounds NEKTAR THERAPEUTICS (US) 2012-05-17 US disclosed
CN-102421763-A Oligomer-containing substituted aromatic triazine compounds NEKTAR THERAPEUTICS 2012-04-18 CN disclosed
WO-2010132691-A1 OLIGOMER-CONTAINING SUBSTITUTED AROMATIC TRIAZINE COMPOUNDS NEKTAR THERAPEUTICS (US) 2010-11-18 WO disclosed
US-4602017-A Substituted aromatic compounds SMITHKLINE BEECHAM CORPORATION(A PENNSYLVANIA CORPORATION) 1986-07-22 US disclosed
US-4486354-A ANTICONVULSANTS BURROUGH WELLCOME CO. 1984-12-04 US disclosed
EP-0021121-A1 1,2,4-Triazine derivatives, process for preparing such compounds and pharmaceutical compositions containing them THE WELLCOME FOUNDATION LIMITED (GB) 1981-01-07 EP 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-20120122871-A1 Oligomer-Containing Substituted Aromatic Triazine Compounds NOD2, HTT, CUL5 CYP2D6 1003/4885MAOA 440/4885MAPK1 4483/4885
US-20140256732-A1 OLIGOMER-CONTAINING SUBSTITUTED AROMATIC TRIAZINE COMPOUNDS NOD2, HTT, IPO5 CYP2D6 1051/4885MAOA 361/4885MAPK1 4739/4885
US-20160194294-A1 OLIGOMER-CONTAINING SUBSTITUTED AROMATIC TRIAZINE COMPOUNDS NOD2, HTT, IPO5 CYP2D6 1051/4885MAOA 361/4885MAPK1 4739/4885
US-20150065706-A1 OLIGOMER-CONTAINING SUBSTITUTED AROMATIC TRIAZINE COMPOUNDS NOD2, HTT, IPO5 CYP2D6 1051/4885MAOA 361/4885MAPK1 4739/4885

“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.