SCHEMBL4045901

SCHEMBL4045901

O=C(O)n1ccc2cc(CBr)c(Cl)cc21

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 2/20 0.39
KMO O15229 2/20 0.33
HDAC6 Q9UBN7 4/20 0.32
SLC22A12 Q96S37 2/20 0.32
HDAC1 Q13547 2/20 0.32
TFPI2 P48307 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
PLAU P00749 1/20 0.32
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
HTR2B P41595 1/20 0.31
TSHR P16473 1/20 0.31
RAB9A P51151 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ACHE P22303 2/20 0.31
CCR2 P41597 1/20 0.30
KDM4E B2RXH2 1/20 0.30

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
SCHEMBL4988920 0.82 OXER1 (0.42) OXER1KMOHDAC6SLC22A12HDAC1
SCHEMBL4047939 0.82 HTR2A (0.34) OXER1TFPI2HTR2AHTR2CTSHR
SCHEMBL4053852 0.76 OXER1 (0.38) OXER1KMOSLC22A12TFPI2TSHR
SCHEMBL3268572 0.73 OXER1 (0.44) OXER1HDAC6HDAC1TFPI2HDAC8
SCHEMBL5634574 0.73 HTR2A (0.46) OXER1KMOHDAC6SLC22A12HDAC1
SCHEMBL4045464 0.73 OXER1 (0.39) OXER1KMOACHEALDH1A1HPGD
SCHEMBL4050615 0.71 NOTUM (0.46) OXER1HTR2AHTR2C
SCHEMBL2659180 0.70 OXER1 (0.63) OXER1KMOHTR2AHTR2CTSHR
SCHEMBL28661724 0.70 OXER1 (0.63) OXER1KMOTSHRRAB9AL3MBTL1
SCHEMBL4046944 0.70 CCR2 (0.34) OXER1KMOCCR2

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
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
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 (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 OXER1 358/4885KMO 505/4885HDAC6 2591/4885
US-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, ADORA2A, CHRNA4 OXER1 307/4885KMO 451/4885HDAC6 2704/4885

“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.