SCHEMBL4459097

SCHEMBL4459097

C[Si](C)(C)CCn1cccn1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.39
FDPS P14324 1/20 0.37
THRB P10828 2/20 0.35
LMNA P02545 2/20 0.35
TSHR P16473 1/20 0.35
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 3/20 0.33
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
TDP1 Q9NUW8 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
SCHEMBL10510707 0.81 FDPS (0.39) DAOFDPSTHRBLMNATSHR
SCHEMBL5713341 0.80 DAO (0.50) DAOFDPSTHRBLMNATSHR
SCHEMBL33257 0.78
Hydrochloric Acid SCHEMBL557813 0.76
Bromide SCHEMBL556812 0.76
SCHEMBL7100687 0.75 DAO (0.43) DAOFDPSTHRBTSHRGAA
Hydrochloric Acid SCHEMBL3510080 0.74 DAO (0.40) DAOFDPSTHRBLMNATSHR
SCHEMBL796651 0.74
SCHEMBL11617 0.74 FDPS (0.33) FDPSTSHR
SCHEMBL8156591 0.73

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-2951176-A1 RADIOLABELED COMPOUNDS F. Hoffmann-La Roche AG (CH) 2015-12-09 EP disclosed
WO-2014118039-A1 RADIOLABELED COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2014-08-07 WO disclosed
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 DAO 1117/4885FDPS 2331/4885THRB 520/4885

“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.