SCHEMBL3555030

SCHEMBL3555030

O=c1cc(N2CCOCC2)nc2c(OS(=O)(=O)C(F)(F)F)cccn12

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 17/20 0.58
PIK3CB P42338 17/20 0.58
PIK3CA P42336 15/20 0.56
PRKDC P78527 2/20 0.53
MTOR P42345 1/20 0.53

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
SCHEMBL3721705 0.84 PIK3CD (0.42) PIK3CDPIK3CBPIK3CA
SCHEMBL3718193 0.84 PIK3CD (0.42) PIK3CDPIK3CBPIK3CA
SCHEMBL3714687 0.83 PRKDC (0.41) PIK3CDPIK3CBPIK3CAPRKDC
SCHEMBL13752195 0.81 PIK3CD (0.69) PIK3CDPIK3CBPIK3CAPRKDCMTOR
SCHEMBL13752191 0.78 PIK3CB (0.68) PIK3CDPIK3CBPIK3CAPRKDCMTOR
SCHEMBL13403480 0.77 PRKDC (0.64) PIK3CDPIK3CBPIK3CAPRKDCMTOR
SCHEMBL3718056 0.77 PRKDC (0.71) PIK3CDPIK3CBPIK3CAPRKDCMTOR
SCHEMBL8160997 0.75 PRKDC (0.64) PIK3CDPIK3CBPIK3CAPRKDCMTOR
SCHEMBL13752231 0.75 PIK3CD (0.69) PIK3CDPIK3CBPIK3CAPRKDCMTOR
SCHEMBL13403441 0.75 LMNA (0.37) PIK3CDPIK3CBPIK3CAPRKDC

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
WO-2010136778-A1 DIBENZOTHIOPHENE DERIVATIVES AS DNA- PK INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2010-12-02 WO disclosed
WO-2010136778-A1 DIBENZOTHIOPHENE DERIVATIVES AS DNA- PK INHIBITORS KUDOS PHARMACEUTICALS LIMITED (GB) 2010-12-02 WO 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
US-7696203-B2 DNA-PK inhibitors KUDOS PHARMACEUTICALS LIMITED (GB) 2010-04-13 US 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

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 PIK3CD 1459/4885PIK3CB 1519/4885PIK3CA 1723/4885

“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.