SCHEMBL4048565

SCHEMBL4048565

O=C(O)n1ccc2cccc(CBr)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.44
TSHR P16473 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CMA1 P23946 1/20 0.35
NOTUM Q6P988 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KMT2A Q03164 2/20 0.33
BCHE P06276 2/20 0.33
CYP1A2 P05177 2/20 0.32
PARP1 P09874 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
MAPT P10636 1/20 0.32
AKR1B1 P15121 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTGER4 P35408 1/20 0.32

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
SCHEMBL27550174 0.85 OXER1 (0.51) OXER1TSHRRAB9AL3MBTL1CMA1
SCHEMBL31450403 0.83 OXER1 (0.44) OXER1TSHRRAB9AL3MBTL1CMA1
SCHEMBL7350082 0.81 OXER1 (0.41) OXER1CMA1NOTUMTDP1KMT2A
SCHEMBL1347686 0.78 ACLY (0.44) OXER1L3MBTL1NOTUMKMT2ABCHE
SCHEMBL4046697 0.78 TFPI2 (0.33) OXER1L3MBTL1NOTUMTDP1KDM4E
SCHEMBL31450290 0.77 OXER1 (0.45) OXER1TSHRRAB9AL3MBTL1CMA1
SCHEMBL4045464 0.76 OXER1 (0.39) OXER1BCHEALDH1A1MAPTHPGD
SCHEMBL30405639 0.75 RAB9A (0.41) OXER1TSHRRAB9AL3MBTL1NOTUM
SCHEMBL15971447 0.74 NOTUM (0.41) OXER1TSHRRAB9AL3MBTL1NOTUM
SCHEMBL21055089 0.74 TSHR (0.40) OXER1TSHRRAB9AL3MBTL1NOTUM

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 OXER1 358/4885TSHR 219/4885RAB9A 1703/4885
US-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, ADORA2A, CHRNA4 OXER1 307/4885TSHR 185/4885RAB9A 2025/4885
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, CHRNA4, CNR1 OXER1 501/4885TSHR 244/4885RAB9A 1361/4885

“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.