SCHEMBL21187302

SCHEMBL21187302

N[C@H]1CC[C@@H](Oc2cc(N3CCOCC3)cc3nc[nH]c(=O)c23)CC1

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.49
PIK3CD O00329 1/20 0.49
PIK3CB P42338 1/20 0.49
SYK P43405 4/20 0.47
QPCT Q16769 3/20 0.39
TBK1 Q9UHD2 5/20 0.35
IP6K1 Q92551 4/20 0.34
IP6K3 Q96PC2 1/20 0.34
MAP3K11 Q16584 1/20 0.34
AKT1 P31749 1/20 0.34
TTK P33981 1/20 0.33

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
SCHEMBL21177857 1.00 PIK3CA (0.49) PIK3CAPIK3CDPIK3CBSYKQPCT
SCHEMBL16742224 0.80 PIK3CD (0.57) PIK3CAPIK3CDPIK3CBSYKQPCT
SCHEMBL21187296 0.79 SYK (0.47) SYKTBK1
SCHEMBL21178138 0.79 SYK (0.47) SYKTBK1
SCHEMBL30817825 0.79 SYK (0.47) SYKTBK1
SCHEMBL4033516 0.79 SYK (0.39) PIK3CAPIK3CDPIK3CBSYKIP6K1
SCHEMBL16747780 0.78 PIK3CD (0.39) PIK3CAPIK3CDPIK3CBSYK
SCHEMBL18128950 0.78 PIK3CD (0.39) PIK3CAPIK3CDPIK3CBSYK
SCHEMBL18128959 0.78 SYK (0.42) PIK3CAPIK3CDPIK3CBSYKQPCT
SCHEMBL21187399 0.78 SYK (0.47) SYKTBK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200353101-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-11-12 US disclosed
WO-2019143678-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-07-25 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-20200353101-A1 DNA-PK INHIBITORS POLK, DTYMK, DCK PIK3CA 271/4885PIK3CD 623/4885PIK3CB 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.