SCHEMBL4046883

SCHEMBL4046883

C[Si](C)(C)CCOCOC(=O)c1ccc([N+](=O)[O-])cc1OCOCC[Si](C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
MAPT P10636 6/20 0.40
KMT2A Q03164 5/20 0.40
MEN1 O00255 4/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
MAPK1 P28482 1/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
RAB9A P51151 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
HPGD P15428 1/20 0.38
HSP90AA1 P07900 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37

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
SCHEMBL6896827 0.88 ALDH1A1 (0.44) TDP1MAPTKMT2AMEN1NPC1
SCHEMBL4054235 0.80 CYP19A1 (0.40) TDP1MAPTKMT2AMEN1NPC1
SCHEMBL22125983 0.80 HTT (0.38) SMN1; SMN2TDP1MAPTKMT2AMEN1
SCHEMBL4855416 0.80 MAPT (0.48) SMN1; SMN2TDP1MAPTKMT2AMEN1
SCHEMBL7060589 0.80 HTT (0.38) SMN1; SMN2TDP1MAPTKMT2AMEN1
SCHEMBL27247652 0.80 RAB9A (0.44) SMN1; SMN2TDP1MAPTKMT2AMEN1
SCHEMBL2173244 0.80 LMNA (0.52) SMN1; SMN2TDP1MAPTKMT2AMEN1
SCHEMBL15508768 0.78 ALDH1A1 (0.44) SMN1; SMN2TDP1MAPTKMT2AMEN1
SCHEMBL4050421 0.78 CYP19A1 (0.40) SMN1; SMN2TDP1MAPTKMT2ANPC1
SCHEMBL30442588 0.77 LMNA (0.48) MAPTKMT2AMEN1NPC1RAB9A

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-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
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

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 SMN1; SMN2 450/4885TDP1 1054/4885MAPT 1214/4885
US-20070049607-A1 Triazolo [4,5-d] pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, ADORA2A, CHRNA4 SMN1; SMN2 529/4885TDP1 990/4885MAPT 1393/4885
US-20040097526-A1 Triazolo[4,5-d]pyrimidine derivatives and their use as purinergic receptor antagonists CHRNA5, CHRNA4, CNR1 SMN1; SMN2 402/4885TDP1 542/4885MAPT 769/4885

“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.