Sugi Predict

Sugi Predict / Compounds / SCHEMBL3556502

SCHEMBL3556502

SCHEMBL3556502

O=c1cc(N2CCOCC2)oc2c(-c3ccc([N+](=O)[O-])c4c3oc3ccccc34)cccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 18/20 0.71
▸ BRDT Q58F21 3/20 0.61
▸ KDM4E B2RXH2 2/20 0.61
▸ ALDH1A1 P00352 2/20 0.61
▸ SMN1; SMN2 Q16637 2/20 0.61
▸ PIK3CD O00329 2/20 0.61
▸ BRD4 O60885 2/20 0.61
▸ PIK3CA P42336 2/20 0.61
▸ PIK3CB P42338 2/20 0.61
▸ MTOR P42345 2/20 0.61
▸ PIK3CG P48736 2/20 0.61
▸ PDE2A O00408 1/20 0.61
▸ PIK3C2A O00443 1/20 0.61
▸ PIK3R2 O00459 1/20 0.61
▸ PIK3C2B O00750 1/20 0.61
▸ PDE5A O76074 1/20 0.61
▸ TP53 P04637 1/20 0.61
▸ CYP1A2 P05177 1/20 0.61
▸ CYP3A4 P08684 1/20 0.61
▸ CYP2D6 P10635 1/20 0.61

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
SCHEMBL3553834 0.84 PRKDC (0.77) PRKDCBRDTKDM4EALDH1A1SMN1; SMN2
SCHEMBL3718423 0.84 PRKDC (0.83) PRKDCBRDTKDM4EALDH1A1SMN1; SMN2
SCHEMBL3554352 0.84 PIK3CA (0.51) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3295818 0.84 PRKDC (0.72) PRKDCBRDTPIK3CDBRD4PIK3CA
SCHEMBL13346347 0.84 PRKDC (1.00) PRKDCBRDTKDM4EALDH1A1SMN1; SMN2
SCHEMBL31061017 0.84 PRKDC (1.00) PRKDCBRDTKDM4EALDH1A1SMN1; SMN2
SCHEMBL31061056 0.77 PRKDC (1.00) PRKDCBRDTKDM4EALDH1A1SMN1; SMN2
Ly-294002 SCHEMBL94377 0.77 PRKDC (1.00) PRKDCBRDTKDM4EALDH1A1SMN1; SMN2
Ly-294002 SCHEMBL29424167 0.77 PRKDC (1.00) PRKDCBRDTKDM4EALDH1A1SMN1; SMN2
SCHEMBL3548428 0.76 PRKDC (0.54) PRKDCPIK3CDPIK3CAPIK3CBMTOR

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 PRKDC 33/4885BRDT 186/4885KDM4E 628/4885

“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.