SCHEMBL3554352

SCHEMBL3554352

O=c1cc(N2CCOCC2)[nH]c2c(-c3ccc([N+](=O)[O-])c4c3oc3ccccc34)cccc12

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 11/20 0.51
PIK3CG P48736 5/20 0.49
PRKDC P78527 4/20 0.48
LMNA P02545 1/20 0.42
PIK3CD O00329 2/20 0.41
PIK3CB P42338 2/20 0.41

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
SCHEMBL3556241 0.85 PIK3CA (0.54) PIK3CAPIK3CGPRKDCPIK3CDPIK3CB
SCHEMBL3556502 0.84 PRKDC (0.71) PIK3CAPIK3CGPRKDCLMNAPIK3CD
SCHEMBL3552465 0.82 PIK3CA (0.48) PIK3CAPIK3CGPRKDCPIK3CDPIK3CB
SCHEMBL3619457 0.78 PRKDC (0.56) PIK3CAPIK3CGPRKDC
SCHEMBL4809435 0.75 PIK3CA (0.67) PIK3CAPIK3CGPRKDCLMNAPIK3CD
SCHEMBL909904 0.74 PIK3CG (0.71) PIK3CAPIK3CGPRKDCLMNAPIK3CD
SCHEMBL3548428 0.73 PRKDC (0.54) PIK3CAPRKDCPIK3CDPIK3CB
SCHEMBL4809385 0.70 PRKDC (0.64) PIK3CAPIK3CGPRKDCPIK3CDPIK3CB
SCHEMBL4105698 0.70 PIK3CA (0.63) PIK3CAPIK3CGPRKDCPIK3CDPIK3CB
SCHEMBL3555162 0.69 PIK3CA (0.51) PIK3CAPIK3CGPRKDCPIK3CDPIK3CB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7696203-B2 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2010-04-13 US disclosed
US-7696203-B2 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2010-04-13 US disclosed
US-7696203-B2 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2010-04-13 US disclosed
EP-1869021-A1 DNA-PK INHIBITORS Kudos Pharmaceuticals Ltd (GB) 2007-12-26 EP disclosed
US-20060264427-A1 3-amino-N-[4-(2-morpholin-4-yl-1-benzopyran-4-one)-dibenzofuran-1-yl]-propionamides ; anticancer, antitumor agents KUDOS PHARMACEUTICALS LIMITED (GB) 2006-11-23 US disclosed
WO-2006109081-A1 DNA-PK INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2006-10-19 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-20060264427-A1 3-amino-N-[4-(2-morpholin-4-yl-1-benzopyran-4-one)-dibenzofuran-1-yl]-propionamides ; anticancer, antitumor agents POLK, DCK, POLN PIK3CA 1723/4885PIK3CG 1941/4885PRKDC 33/4885

“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.