SCHEMBL22651983

SCHEMBL22651983

COCC(=O)N[C@H]1CC[C@@H](Oc2cc(N3CCOCC3)cc3ncnc(OC)c23)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 5/20 0.40
PIK3CA P42336 5/20 0.40
PIK3CB P42338 5/20 0.40
PIK3CG P48736 5/20 0.40
LDHA P00338 1/20 0.39
ALDH1A1 P00352 3/20 0.38
USP2 O75604 1/20 0.38
RAF1 P04049 1/20 0.38
BRAF P15056 1/20 0.38
HTT P42858 1/20 0.38
PRKDC P78527 2/20 0.36
KCNH2 Q12809 1/20 0.36
LMNA P02545 1/20 0.36
SIK1 P57059 1/20 0.36
SIK2 Q9H0K1 1/20 0.36
SIK3 Q9Y2K2 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
DRD3 P35462 1/20 0.36
SRC P12931 3/20 0.35

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
SCHEMBL30823290 1.00 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPIK3CGLDHA
SCHEMBL28461575 1.00 PIK3CD (0.40) PIK3CDPIK3CAPIK3CBPIK3CGLDHA
SCHEMBL21178579 0.86 RAF1 (0.40) PIK3CDPIK3CAPIK3CBPIK3CGRAF1
SCHEMBL21187398 0.86 RAF1 (0.40) PIK3CDPIK3CAPIK3CBPIK3CGRAF1
SCHEMBL21177923 0.86 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGLDHA
SCHEMBL21177920 0.86 PIK3CD (0.42) PIK3CDPIK3CAPIK3CBPIK3CGLDHA
SCHEMBL16079637 0.83 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGLDHA
SCHEMBL21278974 0.83 PIK3CD (0.43) PIK3CDPIK3CAPIK3CBPIK3CGLDHA
SCHEMBL21187412 0.81 ALDH1A1 (0.37) PIK3CDPIK3CAPIK3CBPIK3CGALDH1A1
SCHEMBL21177871 0.81 SYK (0.47) RAF1BRAFPRKDCKCNH2SRC

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-20200353101-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-11-12 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-20200353101-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PIK3CD 623/4885PIK3CA 271/4885PIK3CB 496/4885

“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.