SCHEMBL3702933

SCHEMBL3702933

Nc1nnc(-c2cc(Cl)cc3ccccc23)c(N)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.51
MAOA P21397 1/20 0.51
MAPK1 P28482 1/20 0.51
ADRA1A P35348 1/20 0.51
SCN4A P35499 1/20 0.51
BLM P54132 1/20 0.51
PMP22 Q01453 1/20 0.51
PDE3A Q14432 1/20 0.51
SCN5A Q14524 1/20 0.51
SCN9A Q15858 1/20 0.51
SCN2A Q99250 1/20 0.51
SCN3A Q9NY46 1/20 0.51
SCN10A Q9Y5Y9 1/20 0.51
CSNK1A1 P48729 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
ADORA2A P29274 13/20 0.47
ADORA1 P30542 13/20 0.47
ADORA2B P29275 1/20 0.47
DHFR P00374 1/20 0.40
PIK3CG P48736 1/20 0.36

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
SCHEMBL6374321 0.82 CSNK1A1 (0.47) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL979602 0.79 CSNK1A1 (0.55) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL978392 0.79 CYP2D6 (0.58) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL30413445 0.79 CSNK1A1 (0.55) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL17350868 0.78 ADORA2A (0.50) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL10984771 0.76 CYP2D6 (0.59) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL17350761 0.75 CSNK1A1 (0.41) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL978226 0.74 SCN9A (0.61) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL30413401 0.74 SCN9A (0.61) CYP2D6MAOAMAPK1ADRA1ASCN4A
SCHEMBL3701926 0.74 SCN10A (0.57) 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 7 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-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
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 (1 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

“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.