SCHEMBL21178283

SCHEMBL21178283

Oc1cc(N2CCOCC2)cc2ncncc12

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 15/20 0.48
▸ PIK3CD O00329 2/20 0.43
▸ PIK3CA P42336 2/20 0.43
▸ PIK3CB P42338 2/20 0.43
▸ PIK3CG P48736 1/20 0.43
▸ KCNH2 Q12809 7/20 0.42
▸ PDE10A Q9Y233 1/20 0.40
▸ MAPK10 P53779 1/20 0.40

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
SCHEMBL21187325 0.82 PRKDC (0.45) PRKDCPIK3CDPIK3CAPIK3CBKCNH2
SCHEMBL21187409 0.80 PDE10A (0.55) PRKDCKCNH2PDE10A
SCHEMBL21187329 0.80 PRKDC (0.45) PRKDCPIK3CDPIK3CAPIK3CBKCNH2
SCHEMBL21177945 0.78 ALDH1A1 (0.43) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21187328 0.77 MAPT (0.44) PRKDCKCNH2PDE10A
Hydrochloric Acid SCHEMBL29191333 0.76 PRKDC (0.41) PRKDCPIK3CDPIK3CAPIK3CBKCNH2
SCHEMBL21178068 0.76 PRKDC (0.45) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL21187391 0.75 PRKDC (0.48) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL31302322 0.74 PRKDC (0.53) PRKDCPIK3CDPIK3CAPIK3CBKCNH2
SCHEMBL2419166 0.74 PRKDC (0.53) PRKDCPIK3CDPIK3CAPIK3CBKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12005127-B2 DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-06-11 — — US disclosed
CN-111757876-B DNA-PK inhibitors 沃泰克斯药物股份有限公司 2024-03-22 — — CN disclosed
EP-3740480-B1 DNA-PK INHIBITORS VERTEX PHARMA (US) 2024-03-06 — — EP disclosed
EP-3740480-A1 DNA-PK INHIBITORS Vertex Pharmaceuticals Incorporated (US) 2020-11-25 — — EP disclosed
US-20200353101-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-11-12 — — US disclosed
US-20200353101-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2020-11-12 — — US disclosed
CN-111757876-A DNA-PK inhibitors 沃泰克斯药物股份有限公司 2020-10-09 — — CN disclosed
WO-2019143678-A1 DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-07-25 — — WO 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 (2 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 PRKDC 34/4885PIK3CD 623/4885PIK3CA 271/4885
US-12005127-B2 DNA-PK inhibitors POLK, DTYMK, DCK PRKDC 34/4885PIK3CD 623/4885PIK3CA 271/4885

“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.

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