SCHEMBL2017969

SCHEMBL2017969

O=Cc1cccc(-c2ccc3c(c2)CNC3=O)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRF1 P14222 4/20 0.64
CLK4 Q9HAZ1 3/20 0.52
GSK3B P49841 2/20 0.52
DAPK3 O43293 1/20 0.52
NTRK1 P04629 1/20 0.52
PIM1 P11309 1/20 0.52
FLT3 P36888 1/20 0.52
ROCK1 Q13464 1/20 0.52
DYRK1B Q9Y463 2/20 0.51
TYRO3 Q06418 1/20 0.51
NTRK2 Q16620 1/20 0.51
FYN P06241 1/20 0.50
PARP10 Q53GL7 6/20 0.49
PARP11 Q9NR21 6/20 0.49
TARS1 P26639 1/20 0.45
CA12 O43570 1/20 0.45
CA9 Q16790 1/20 0.45
GRM5 P41594 2/20 0.44
TRIM24 O15164 1/20 0.44
TRIM33 Q9UPN9 1/20 0.44

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
SCHEMBL2014718 0.86 PRF1 (0.61) PRF1CLK4GSK3BDAPK3NTRK1
SCHEMBL29952603 0.82 CA12 (0.50) PRF1CLK4GSK3BDAPK3NTRK1
SCHEMBL4610013 0.82 CA12 (0.50) PRF1CLK4GSK3BDAPK3NTRK1
SCHEMBL8167297 0.81 CLK4 (0.75) PRF1CLK4GSK3BDAPK3NTRK1
SCHEMBL10243599 0.79 PARP10 (0.74) PRF1CLK4GSK3BDAPK3NTRK1
SCHEMBL13680532 0.79 CLK4 (0.78) PRF1CLK4GSK3BDAPK3NTRK1
SCHEMBL14761055 0.79 PRF1 (1.00) PRF1
SCHEMBL14761053 0.79 PRF1 (1.00) PRF1
SCHEMBL14761057 0.79 PRF1 (1.00) PRF1
SCHEMBL14847348 0.75 CLK4 (0.51) PRF1CLK4GSK3BDAPK3NTRK1

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-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2013-03-14 US disclosed
EP-2515903-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF Peter MacCallum Cancer Institute (AU) 2012-10-31 EP disclosed
WO-2011075784-A1 COMPOUNDS, PREPARATIONS AND USES THEREOF PETER MACCALLUM CANCER INSTITUTE (AU) 2011-06-30 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-20130065897-A1 COMPOUNDS, PREPARATION AND USES THEREOF PRF1, GZMB, SERPINB1 PRF1 1/4885CLK4 4804/4885GSK3B 3994/4885

“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.