SCHEMBL13707367

SCHEMBL13707367

O=C(Nc1nc(-c2ccco2)c2nn[nH]c2n1)c1ccc(Cl)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.44
APBA1 Q02410 1/20 0.44
KDR P35968 1/20 0.41
KMT2A Q03164 4/20 0.40
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
KDM4E B2RXH2 4/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
MAPT P10636 4/20 0.38
MEN1 O00255 3/20 0.38
POLB P06746 3/20 0.38
ALDH1A1 P00352 3/20 0.38
USP2 O75604 2/20 0.38
HPGD P15428 2/20 0.38
PTPN7 P35236 2/20 0.38
BLM P54132 2/20 0.38
ALOX15 P16050 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
SCHEMBL4048989 0.85 CACNA1B (0.43) CACNA1BAPBA1KDRKMT2AMDM4
SCHEMBL4047238 0.72 ADORA2A (0.54) CACNA1BAPBA1KDRKMT2AMDM4
SCHEMBL30309288 0.69 ADORA2A (0.53) CACNA1BAPBA1KMT2AKDM4ELMNA
SCHEMBL22331546 0.69 ADORA2A (0.53) CACNA1BAPBA1KMT2AKDM4ELMNA
SCHEMBL1256080 0.69 ADORA2A (0.62) ADORA1
SCHEMBL4048792 0.67 ADORA2A (0.74) CACNA1BAPBA1KMT2AMDM4TP53
SCHEMBL13322063 0.67 ADORA2A (0.61) KMT2AKDM4ELMNAMAPTMEN1
SCHEMBL1257199 0.67 ADORA2A (0.48) CACNA1BAPBA1KMT2AKDM4ELMNA
SCHEMBL1256838 0.67 ADORA2A (0.60) KMT2ARAB9AMEN1POLBUSP2
SCHEMBL3792817 0.67 KDR (0.62) KDRKMT2AMDM4TP53MDM2

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
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
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-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-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-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED 2007-03-01 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 (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 CACNA1B 464/4885APBA1 2078/4885KDR 3057/4885
US-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, ADORA2A, CHRNA4 CACNA1B 507/4885APBA1 1919/4885KDR 2742/4885

“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.