SCHEMBL4048792

SCHEMBL4048792

Nc1nc(NC(=O)c2ccc(Cl)nc2)c([N+](=O)[O-])c(-c2ccco2)n1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 16/20 0.74
ADORA1 P30542 10/20 0.74
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
HDAC1 Q13547 8/20 0.41
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
KMT2A Q03164 1/20 0.39
MDM4 O15151 1/20 0.38
TP53 P04637 1/20 0.38
MDM2 Q00987 1/20 0.38

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
SCHEMBL4047238 0.87 ADORA2A (0.54) ADORA2AADORA1CACNA1BAPBA1HDAC1
SCHEMBL7146688 0.75 ADORA2A (0.67) ADORA2AADORA1
SCHEMBL7145305 0.72 ADORA2A (0.63) ADORA2AADORA1KMT2A
SCHEMBL13322066 0.72 ADORA2A (0.62) ADORA2AADORA1
SCHEMBL30309288 0.72 ADORA2A (0.53) ADORA2ACACNA1BAPBA1KMT2A
SCHEMBL22331546 0.72 ADORA2A (0.53) ADORA2ACACNA1BAPBA1KMT2A
SCHEMBL4052390 0.71 ADORA2A (0.60) ADORA2AADORA1
SCHEMBL7153408 0.70 ADORA2A (0.61) ADORA2AADORA1KMT2ATP53
SCHEMBL7148045 0.70 ADORA2A (0.61) ADORA2AADORA1KMT2A
SCHEMBL7149785 0.70 ADORA2A (0.66) ADORA2AADORA1KMT2A

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 11 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
CN-101214248-A Triazolo[4,5-d] pyrimidine derivatives and their application as purinergic receptor antagonists VERNALIS RES LTD (GB) 2008-07-09 CN 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
CN-1496262-A Triazolo [4, 5-d ] pyrimidine derivatives and their use as purinergic receptor antagonists О 2004-05-12 CN 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 (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 10/4885CACNA1B 464/4885
US-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, ADORA2A, CHRNA4 ADORA2A 2/4885ADORA1 12/4885CACNA1B 507/4885
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, CHRNA4, CNR1 ADORA2A 7/4885ADORA1 19/4885CACNA1B 485/4885

“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.