SCHEMBL4049049

SCHEMBL4049049

COCCc1cccc(CO)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.41
NPSR1 Q6W5P4 1/20 0.39
PGK1 P00558 1/20 0.38
PGK2 P07205 1/20 0.38
ADORA2A P29274 2/20 0.38
CCR1 P32246 1/20 0.38
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
TSHR P16473 1/20 0.35
HRH4 Q9H3N8 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
GRIN2D O15399 2/20 0.33
GRIN3B O60391 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2A Q12879 2/20 0.33
GRIN2B Q13224 2/20 0.33
GRIN2C Q14957 2/20 0.33
GRIN3A Q8TCU5 2/20 0.33
NR3C2 P08235 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
SCHEMBL27800462 0.81 KCNH2 (0.41) KCNH2NPSR1PGK1PGK2NOS1
SCHEMBL4047122 0.81 KCNH2 (0.46) KCNH2NPSR1PGK1PGK2CCR1
SCHEMBL4050129 0.80 KCNH2 (0.44) KCNH2NPSR1PGK1PGK2ADORA2A
SCHEMBL29695042 0.80 KCNH2 (0.44) KCNH2NPSR1PGK1PGK2ADORA2A
SCHEMBL9977688 0.78 SMN1; SMN2 (0.42) KCNH2ADORA2ACCR1NOS1NOS2
SCHEMBL486201 0.78 CCR1 (0.55) KCNH2NPSR1PGK1PGK2ADORA2A
SCHEMBL5477474 0.78 KCNH2 (0.39) KCNH2NPSR1PGK1PGK2ADORA2A
SCHEMBL4043797 0.78 KCNH2 (0.55) KCNH2NPSR1PGK1PGK2CCR1
SCHEMBL12710391 0.77 KCNH2 (0.37) KCNH2NPSR1PGK1PGK2NOS1
SCHEMBL3511340 0.77 HTR7 (0.41) KCNH2NPSR1NOS1NOS2TSHR

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 11 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
CN-101214248-A Triazolo[4,5-d] pyrimidine derivatives and their application as purinergic receptor antagonists VERNALIS RES LTD (GB) 2008-07-09 CN 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
CN-1496262-A Triazolo [4, 5-d ] pyrimidine derivatives and their use as purinergic receptor antagonists О 2004-05-12 CN 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 KCNH2 716/4885NPSR1 18/4885PGK1 2580/4885
US-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, ADORA2A, CHRNA4 KCNH2 939/4885NPSR1 23/4885PGK1 3214/4885
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, CHRNA4, CNR1 KCNH2 649/4885NPSR1 45/4885PGK1 3133/4885

“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.