SCHEMBL4707995

SCHEMBL4707995

COc1cc(C(=O)c2cccc(C#N)c2)c(N)cc1O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 6/20 0.41
MAPK14 Q16539 1/20 0.39
ADORA2A P29274 1/20 0.36
ADORA1 P30542 1/20 0.36
BACE1 P56817 1/20 0.36
KDM4E B2RXH2 2/20 0.35
DRD2 P14416 1/20 0.35
DRD1 P21728 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
RECQL P46063 1/20 0.34
HSD17B10 Q99714 1/20 0.34

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
SCHEMBL4708513 1.00 VNN1 (0.41) VNN1MAPK14ADORA2AADORA1BACE1
SCHEMBL4709546 0.84 KDM4E (0.48) VNN1MAPK14KDM4EDRD2DRD1
SCHEMBL4708654 0.83 VNN1 (0.38) VNN1KDM4EDRD2DRD1DRD4
SCHEMBL4707889 0.83 VNN1 (0.38) VNN1KDM4EDRD2DRD1DRD4
SCHEMBL5062220 0.80 KDM4E (0.43) KDM4ELMNAMAPTHPGDHSD17B10
SCHEMBL5034761 0.76 CYP1A2 (0.45) VNN1MAPK14LMNAHPGD
SCHEMBL9575546 0.73 NPC1 (0.47) VNN1MAPK14LMNA
SCHEMBL4707952 0.72 MAPT (0.59) MAPK14KDM4ELMNACYP3A4MAPT
SCHEMBL4709783 0.72 VNN1 (0.52) VNN1MAPK14LMNAMAPTHPGD
SCHEMBL4709037 0.71 VNN1 (0.51) VNN1MAPK14LMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556055-B1 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS HAVING A BENZODIAZEPINE STRUCTURE AND THEIR USE IN THERAPY VIA PHARMACEUTICALS INC (US) 2008-10-29 EP disclosed
US-20060128695-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses NEURO3D (FR) 2006-06-15 US disclosed
EP-1556055-A2 USE OF CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS HAVING A BENZODIAZEPINE STRUCTURE IN THERAPY NEURO3D (FR) 2005-07-27 EP disclosed
WO-2004041258-A2 CYCLIC NUCLEOTIDE PHOSPHODIESTERASE INHIBITORS, PREPARATION AND USES NEURO3D (FR) 2004-05-21 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-20060128695-A1 Cyclic nucleotide phosphodiesterase inhibitors, preparation and uses PDE7A, PDE4A, PDE4B VNN1 456/4885MAPK14 2935/4885ADORA2A 49/4885

“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.