SCHEMBL4452564

SCHEMBL4452564

Nc1nc(Cl)c2cnn(Cc3ccccc3F)c2n1

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 4/20 0.71
TRAP1 Q12931 4/20 0.71
HSP90AB1 P08238 1/20 0.71
ADORA2A P29274 16/20 0.65
ADORA1 P30542 16/20 0.65
HSP90B1 P14625 1/20 0.54
ADORA3 P0DMS8 3/20 0.46
ADORA2B P29275 3/20 0.46

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
SCHEMBL20118700 0.88 TRAP1 (0.69) HSP90AA1TRAP1HSP90AB1ADORA2AADORA1
SCHEMBL20118867 0.87 ADORA2A (0.66) HSP90AA1TRAP1HSP90AB1ADORA2AADORA1
SCHEMBL23388319 0.86 ADORA2A (0.63) HSP90AA1TRAP1HSP90AB1ADORA2AADORA1
SCHEMBL25548705 0.85 TRAP1 (0.79) HSP90AA1TRAP1HSP90AB1ADORA2AADORA1
SCHEMBL20118752 0.85 HSP90AA1 (0.64) HSP90AA1TRAP1HSP90AB1ADORA2AADORA1
SCHEMBL7197520 0.85 HSP90AA1 (0.52) HSP90AA1TRAP1HSP90AB1ADORA2AADORA1
SCHEMBL20118754 0.83 TRAP1 (1.00) HSP90AA1TRAP1HSP90AB1ADORA2AADORA1
SCHEMBL20118709 0.83 TRAP1 (0.65) HSP90AA1TRAP1HSP90AB1ADORA2AADORA1
SCHEMBL23416540 0.83 TRAP1 (0.76) HSP90AA1TRAP1HSP90AB1ADORA2AADORA1
SCHEMBL20118691 0.82 HSP90AA1 (0.62) HSP90AA1TRAP1HSP90AB1ADORA2AADORA1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629349-B2 Pyrazolo [3,4-d] pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2009-12-08 US disclosed
EP-1349552-B1 PYRAZOLO[3,4-d]PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RES LTD (GB) 2008-08-20 EP disclosed
US-7087754-B2 Pyrazolo[3,4-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2006-08-08 US disclosed
US-20060111373-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED 2006-05-25 US disclosed
US-20040116447-A1 Pyrazolo[3,4-d]pyrimidine derivatives and their use as purinergic receptor antagonists VERNALIS RESEARCH LIMITED (GB) 2004-06-17 US disclosed
EP-1349552-A1 PYRAZOLO 3,4-D]PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS VERNALIS RESEARCH LIMITED (GB) 2003-10-08 EP disclosed
WO-2002055082-A1 PYRAZOLO[3,4-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 (1 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-20060111373-A1 PYRAZOLO [3,4-D] PYRIMIDINE DERIVATIVES AND THEIR USE AS PURINERGIC RECEPTOR ANTAGONISTS CHRNA6, CHRNA5, CNR1 HSP90AA1 4561/4885TRAP1 2843/4885HSP90AB1 4512/4885

“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.