SCHEMBL4052144

SCHEMBL4052144

Nc1nc(NCc2ccccn2)c([N+](=O)[O-])c(-c2ccco2)n1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.58
ADORA1 P30542 14/20 0.58
ADORA3 P0DMS8 4/20 0.48
ADORA2B P29275 4/20 0.48
MGMT P16455 1/20 0.44
TDP1 Q9NUW8 3/20 0.44
MEN1 O00255 2/20 0.44
POLB P06746 2/20 0.44
MAPT P10636 2/20 0.44
RECQL P46063 2/20 0.44
BLM P54132 2/20 0.44
KMT2A Q03164 2/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
THRB P10828 1/20 0.43
PKM P14618 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
NR4A1 P22736 1/20 0.43
APEX1 P27695 1/20 0.43

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
SCHEMBL7149785 0.85 ADORA2A (0.66) ADORA2AADORA1TDP1MEN1POLB
SCHEMBL7145305 0.82 ADORA2A (0.63) ADORA2AADORA1ADORA3ADORA2BTDP1
SCHEMBL7146726 0.80 ADORA2A (0.64) ADORA2AADORA1ADORA3ADORA2BTDP1
SCHEMBL7153408 0.80 ADORA2A (0.61) ADORA2AADORA1ADORA3ADORA2BTDP1
SCHEMBL6441233 0.79 ADORA2A (0.55) ADORA2AADORA1ADORA3ADORA2BTDP1
SCHEMBL7142633 0.79 ADORA2A (0.63) ADORA2AADORA1ADORA3ADORA2BTDP1
SCHEMBL7403881 0.78 ADORA2A (0.59) ADORA2AADORA1ADORA3ADORA2BMEN1
SCHEMBL7146688 0.78 ADORA2A (0.67) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL5044569 0.78 ADORA2A (0.61) ADORA2AADORA1ADORA3ADORA2BTDP1
SCHEMBL7148045 0.77 ADORA2A (0.61) ADORA2AADORA1ADORA3ADORA2BTDP1

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-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
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS DEVELOPMENT LIMITED (GB) 2004-05-20 US 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 (3 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 ADORA2A 2/4885ADORA1 10/4885ADORA3 4/4885
US-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, ADORA2A, CHRNA4 ADORA2A 2/4885ADORA1 12/4885ADORA3 6/4885
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, CHRNA4, CNR1 ADORA2A 7/4885ADORA1 19/4885ADORA3 17/4885

“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.