SCHEMBL4048989

SCHEMBL4048989

O=C(Nc1nc(-c2ccco2)c2[nH]nnc2n1)c1ccc(Cl)nc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.43
APBA1 Q02410 1/20 0.43
KMT2A Q03164 4/20 0.40
MDM4 O15151 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
KDR P35968 1/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 1/20 0.38
RAB9A P51151 6/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 3/20 0.37
MAPT P10636 3/20 0.37
MEN1 O00255 3/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 2/20 0.37
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL13707367 0.85 CACNA1B (0.44) CACNA1BAPBA1KMT2AMDM4TP53
SCHEMBL4047238 0.74 ADORA2A (0.54) CACNA1BAPBA1KMT2AMDM4TP53
SCHEMBL22331546 0.69 ADORA2A (0.53) CACNA1BAPBA1KMT2AKDM4ELMNA
SCHEMBL30309288 0.69 ADORA2A (0.53) CACNA1BAPBA1KMT2AKDM4ELMNA
SCHEMBL1256080 0.69 ADORA2A (0.62) ADORA1
SCHEMBL4048792 0.69 ADORA2A (0.74) CACNA1BAPBA1KMT2AMDM4TP53
SCHEMBL4044550 0.68 ADORA2A (0.62) KMT2AKDM4ELMNAMAPTMEN1
SCHEMBL1255748 0.67 ADORA2A (0.50) CACNA1BAPBA1KMT2AMAPTMEN1
SCHEMBL1257199 0.66 ADORA2A (0.48) CACNA1BAPBA1KMT2AKDM4ELMNA
SCHEMBL1256838 0.66 ADORA2A (0.60) KMT2ARAB9ANPC1MEN1POLB

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
EP-1392312-B1 TRIAZOLO 4,5-d PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2009-03-04 EP claimed
US-7141575-B2 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LTD. (GB) 2006-11-28 US claimed
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS DEVELOPMENT LIMITED (GB) 2004-05-20 US claimed
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

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 CACNA1B 464/4885APBA1 2078/4885KMT2A 3408/4885
US-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, ADORA2A, CHRNA4 CACNA1B 507/4885APBA1 1919/4885KMT2A 3259/4885
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, CHRNA4, CNR1 CACNA1B 485/4885APBA1 1963/4885KMT2A 2100/4885

“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.