SCHEMBL4111209

SCHEMBL4111209

NCC(=O)Nc1ccc(-c2cccn3c(=O)cc(N4CCOCC4)nc23)c2sc3ccccc3c12

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 19/20 0.66
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50

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
SCHEMBL4110120 0.95 PRKDC (0.65) PRKDC
SCHEMBL13403517 0.85 PRKDC (0.78) PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL13403506 0.84 PRKDC (0.77) PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL13437671 0.80 PRKDC (0.73) PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL4109272 0.80 PRKDC (1.00) PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL13403505 0.80 PRKDC (0.72) PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL3718685 0.77 PRKDC (0.71) PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL3715572 0.77 PRKDC (0.70) PRKDCPIK3CDPIK3CAPIK3CB
SCHEMBL3628127 0.76 PRKDC (0.72) PRKDCPIK3CAPIK3CB
SCHEMBL3805277 0.76 PRKDC (0.66) PRKDCPIK3CDPIK3CAPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090035394-A1 USE OF DNA-PK INHIBITION TO SENSITISE ATM DEFICIENT CANCERS TO DNA-DAMAGING CANCER THERAPIES KUDOS PHARMACEUTICALS LIMITED (GB) 2009-02-05 US claimed

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-20090035394-A1 USE OF DNA-PK INHIBITION TO SENSITISE ATM DEFICIENT CANCERS TO DNA-DAMAGING CANCER THERAPIES ATM, CHEK2, DCK PRKDC 37/4885PIK3CD 816/4885PIK3CA 554/4885

“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.