SCHEMBL4046208

SCHEMBL4046208

Nc1nc(-c2cc[nH]n2)c2nnn(Cc3ccccc3F)c2n1

nearest known ligand 0.73

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 19/20 0.73
ADORA2A P29274 19/20 0.73
ADORA2B P29275 19/20 0.73
ADORA1 P30542 19/20 0.73
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47

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
SCHEMBL4045290 0.85 ADORA3 (0.70) ADORA3ADORA2AADORA2BADORA1HPGD
SCHEMBL3267655 0.81 ADORA2A (0.63) ADORA3ADORA2AADORA2BADORA1
SCHEMBL4455173 0.81 ADORA2A (0.70) ADORA3ADORA2AADORA2BADORA1
SCHEMBL13707353 0.79 ADORA2A (1.00) ADORA3ADORA2AADORA2BADORA1HPGD
SCHEMBL4050324 0.79 ADORA2A (0.63) ADORA3ADORA2AADORA2BADORA1
SCHEMBL4045835 0.78 ADORA2A (0.53) ADORA3ADORA2AADORA2BADORA1
SCHEMBL13707371 0.78 ADORA2A (0.73) ADORA3ADORA2AADORA2BADORA1
SCHEMBL4046576 0.77 ADORA2A (1.00) ADORA3ADORA2AADORA2BADORA1
SCHEMBL4047906 0.77 ADORA2A (1.00) ADORA3ADORA2AADORA2BADORA1
SCHEMBL4046227 0.77 ADORA3 (0.64) ADORA3ADORA2AADORA2BADORA1HPGD

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 ADORA3 4/4885ADORA2A 2/4885ADORA2B 12/4885
US-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, ADORA2A, CHRNA4 ADORA3 6/4885ADORA2A 2/4885ADORA2B 11/4885
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, CHRNA4, CNR1 ADORA3 17/4885ADORA2A 7/4885ADORA2B 40/4885

“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.