SCHEMBL4045936

SCHEMBL4045936

Nc1nc(Cl)c(N)c(NCc2cccc([N+](=O)[O-])c2)n1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EGFR P00533 1/20 0.53
PDE5A O76074 2/20 0.52
HRH4 Q9H3N8 1/20 0.52
KCNN3 Q9UGI6 1/20 0.51
MAPT P10636 4/20 0.49
MEN1 O00255 3/20 0.49
KMT2A Q03164 3/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
PDE3B Q13370 1/20 0.48
PDE3A Q14432 1/20 0.48
ALDH1A1 P00352 3/20 0.47
TSHR P16473 1/20 0.47
POLB P06746 2/20 0.47
APP P05067 1/20 0.46
KDM4E B2RXH2 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL6904713 0.83 KCNN3 (0.51) EGFRPDE5AHRH4KCNN3MAPT
SCHEMBL2992876 0.79 MAPT (0.41) EGFRPDE5AMAPTALDH1A1APP
SCHEMBL3422229 0.79 APP (0.60) EGFRPDE5AAPP
SCHEMBL17201936 0.76 EGFR (0.53) EGFRPDE5AKCNN3MAPTMEN1
SCHEMBL4014057 0.75 EGFR (0.57) EGFRPDE5AHRH4KCNN3MAPT
SCHEMBL4926850 0.74 MAPT (0.66) MAPTALDH1A1POLBAPPTDP1
SCHEMBL15277464 0.72 APP (0.63) EGFRPDE5AMAPTMEN1KMT2A
SCHEMBL17325625 0.71 ALDH1A1 (0.56) EGFRHRH4KCNN3MEN1KMT2A
SCHEMBL5123122 0.71 PDE5A (0.53) EGFRPDE5AKCNN3MAPTMEN1
SCHEMBL29523319 0.71 MAPT (0.50) EGFRPDE5AHRH4KCNN3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589097-B2 Triazol[4,5-d] pyramidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2009-09-15 US disclosed
EP-1392312-B1 TRIAZOLO 4,5-d PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2009-03-04 EP disclosed
US-20080234296-A1 Triazolo[4,5-d] pyramidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2008-09-25 US disclosed
US-7405219-B2 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2008-07-29 US disclosed
US-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2007-03-01 US disclosed
US-7141575-B2 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LTD. (GB) 2006-11-28 US disclosed
EP-1392312-A1 TRIAZOLO 4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2004-03-03 EP disclosed
WO-2002055083-A1 TRIAZOLO[4,5-d] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2002-07-18 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-20080234296-A1 Triazolo[4,5-d] pyramidine derivatives and their use as purinergic receptor antagonists CHRNA5, ADORA2A, CHRNA4 EGFR 3675/4885PDE5A 397/4885HRH4 135/4885
US-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, ADORA2A, CHRNA4 EGFR 3163/4885PDE5A 490/4885HRH4 129/4885

“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.