SCHEMBL3929311

SCHEMBL3929311

Nc1nnc(-c2cc(Cl)cc(Cl)c2)c(N)n1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.62
ADORA1 P30542 14/20 0.62
ADORA2B P29275 2/20 0.62
CSNK1A1 P48729 1/20 0.55
CLK4 Q9HAZ1 1/20 0.55
CYP2D6 P10635 1/20 0.46
MAOA P21397 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
SCN4A P35499 1/20 0.46
BLM P54132 1/20 0.46
PMP22 Q01453 1/20 0.46
PDE3A Q14432 1/20 0.46
SCN5A Q14524 1/20 0.46
SCN9A Q15858 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
SCN10A Q9Y5Y9 1/20 0.46
PIK3CG P48736 1/20 0.40
MEN1 O00255 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
SCHEMBL975901 0.84 ADORA2A (0.67) ADORA2AADORA1ADORA2BCSNK1A1CLK4
SCHEMBL9848552 0.82 CSNK1A1 (0.53) ADORA2AADORA1ADORA2BCSNK1A1CLK4
SCHEMBL10843457 0.82 ADORA2A (0.71) ADORA2AADORA1ADORA2BCSNK1A1CLK4
SCHEMBL7349151 0.80 CSNK1A1 (0.66) ADORA2AADORA1ADORA2BCSNK1A1CLK4
SCHEMBL2322183 0.77 ADORA2A (1.00) ADORA2AADORA1ADORA2B
SCHEMBL6492186 0.76 CSNK1A1 (0.55) ADORA2AADORA1ADORA2BCSNK1A1CLK4
SCHEMBL2321662 0.75 ADORA2A (0.75) ADORA2AADORA1ADORA2B
SCHEMBL978226 0.74 SCN9A (0.61) ADORA2AADORA1ADORA2BCSNK1A1CLK4
SCHEMBL30413401 0.74 SCN9A (0.61) ADORA2AADORA1ADORA2BCSNK1A1CLK4
SCHEMBL17838938 0.74 CSNK1A1 (0.57) ADORA2AADORA1ADORA2BCSNK1A1CLK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2043656-B1 NEW MEDICAL USE OF TRIAZINE DERIVATIVES UNIV GREENWICH (GB) 2014-02-12 EP disclosed
US-20130005732-A1 NEW MEDICAL USE OF TRIAZINE DERIVATIVES UNIVERSITY OF GREENWICH (GB) 2013-01-03 US disclosed
US-8268823-B2 Medical use of triazine derivatives UNIVERSITY OF GREENWICH (GB) 2012-09-18 US disclosed
US-20090291954-A1 Medical Use of Triazine Derivatives UNIVERSITY OF GREENWICH (GB) 2009-11-26 US disclosed
EP-2043656-A2 NEW MEDICAL USE OF TRIAZINE DERIVATIVES University of Greenwich (GB) 2009-04-08 EP disclosed
WO-2008007149-A2 NEW MEDICAL USE OF TRIAZINE DERIVATIVES UNIVERSITY OF GREENWICH (GB) 2008-01-17 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-20090291954-A1 Medical Use of Triazine Derivatives KCNH1, KCNJ1, KCNN1 ADORA2A 302/4885ADORA1 337/4885ADORA2B 235/4885
US-20130005732-A1 NEW MEDICAL USE OF TRIAZINE DERIVATIVES KCNJ1, KCNH1, KCNJ11 ADORA2A 280/4885ADORA1 248/4885ADORA2B 276/4885

“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.