SCHEMBL4047238

SCHEMBL4047238

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

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.54
ADORA1 P30542 8/20 0.54
CACNA1B Q00975 1/20 0.48
APBA1 Q02410 1/20 0.48
HDAC1 Q13547 6/20 0.45
KMT2A Q03164 2/20 0.44
MDM4 O15151 1/20 0.43
TP53 P04637 1/20 0.43
MDM2 Q00987 1/20 0.43
KDR P35968 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC2 Q92769 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
ALDH1A1 P00352 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41

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
SCHEMBL4048792 0.87 ADORA2A (0.74) ADORA2AADORA1CACNA1BAPBA1HDAC1
SCHEMBL22331546 0.75 ADORA2A (0.53) ADORA2ACACNA1BAPBA1KMT2ARAB9A
SCHEMBL30309288 0.75 ADORA2A (0.53) ADORA2ACACNA1BAPBA1KMT2ARAB9A
SCHEMBL4048989 0.74 CACNA1B (0.43) ADORA1CACNA1BAPBA1KMT2AMDM4
SCHEMBL1255748 0.73 ADORA2A (0.50) ADORA2AADORA1CACNA1BAPBA1KMT2A
SCHEMBL1256080 0.73 ADORA2A (0.62) ADORA2AADORA1
SCHEMBL13707367 0.72 CACNA1B (0.44) ADORA1CACNA1BAPBA1KMT2AMDM4
SCHEMBL1553832 0.71 ADORA2A (0.49) ADORA2AADORA1KMT2AKDM4EMEN1
SCHEMBL1257199 0.70 ADORA2A (0.48) ADORA2AADORA1CACNA1BAPBA1KMT2A
SCHEMBL1256838 0.70 ADORA2A (0.60) ADORA2AADORA1KMT2ARAB9AMEN1

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 9 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
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.