SCHEMBL429057

SCHEMBL429057

C=CCc1cccc2c1OC/C(=N\O)N2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
AURKA O14965 1/20 0.35
DAPK3 O43293 1/20 0.35
MAP4K4 O95819 1/20 0.35
RET P07949 1/20 0.35
IGF1R P08069 1/20 0.35
MET P08581 1/20 0.35
PIM1 P11309 1/20 0.35
LTK P29376 1/20 0.35
KDR P35968 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK9 P45984 1/20 0.35
CDK8 P49336 1/20 0.35
CLK2 P49760 1/20 0.35
CDK9 P50750 1/20 0.35
CDK5 Q00535 1/20 0.35
ACVR1 Q04771 1/20 0.35
PTK2 Q05397 1/20 0.35
MAP4K2 Q12851 1/20 0.35

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
SCHEMBL429058 1.00 GABRA1 (0.36) GABRA1GABRB2AURKADAPK3MAP4K4
SCHEMBL426861 0.79 SMYD3 (0.43) GABRA1GABRB2
SCHEMBL429081 0.79 GABRA1 (0.36) GABRA1GABRB2KMT2AMEN1LMNA
SCHEMBL5262471 0.71 KDM4E (0.32) GABRA1GABRB2KMT2AMEN1LMNA
SCHEMBL5262467 0.71 KDM4E (0.32) GABRA1GABRB2KMT2AMEN1LMNA
SCHEMBL5262461 0.71 KDM4E (0.32) GABRA1GABRB2KMT2AMEN1LMNA
SCHEMBL4182404 0.66 SMYD3 (0.43) ALDH1A1MAPT
SCHEMBL28251538 0.63 CYP3A4 (0.47) GABRA1GABRB2KMT2AMEN1ALDH1A1
SCHEMBL4960174 0.62 MTNR1A (0.49) GABRA1GABRB2ALDH1A1KDM4EHTT
SCHEMBL5246687 0.60 GABRA1 (0.47) GABRA1GABRB2AURKADAPK3MAP4K4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS BENTLEY JONATHAN (IT) 2012-01-26 US disclosed
EP-1786822-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-23 EP disclosed
WO-2006024517-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-03-09 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-20120022056-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GABBR1, GABRQ, GABRE GABRA1 19/4885GABRB2 34/4885AURKA 2829/4885

“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.