SCHEMBL21177945

SCHEMBL21177945

Cc1ncc2c(O)cc(N3CCOCC3)cc2n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.43
▸ GAA P10253 4/20 0.43
▸ HPGD P15428 2/20 0.43
▸ ALOX15 P16050 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ CASP1 P29466 1/20 0.43
▸ CASP7 P55210 1/20 0.43
▸ PRKDC P78527 4/20 0.42
▸ PIK3CD O00329 2/20 0.42
▸ PIK3CA P42336 2/20 0.42
▸ PIK3CB P42338 2/20 0.42
▸ PIK3CG P48736 1/20 0.42
▸ PIK3C2B O00750 1/20 0.41
▸ KDM4E B2RXH2 5/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ POLB P06746 2/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL21178283 0.78 PRKDC (0.48) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL30823313 0.77 PRKDC (0.43) ALDH1A1GAAHPGDALOX15HSD17B10
SCHEMBL21178284 0.77 PRKDC (0.43) ALDH1A1GAAHPGDALOX15HSD17B10
SCHEMBL21187299 0.74 SYK (0.44) PRKDC
SCHEMBL30823316 0.74 SYK (0.44) PRKDC
SCHEMBL21177898 0.74 SYK (0.44) PRKDC
SCHEMBL31391332 0.73 PSMB5 (0.51) ALDH1A1GAAHPGDALOX15HSD17B10
SCHEMBL21178068 0.71 PRKDC (0.45) PRKDCPIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL24384617 0.70 PRKDC (0.52) ALDH1A1GAAHPGDALOX15HSD17B10
SCHEMBL12093777 0.70 MAPT (0.51) ALDH1A1GAAHPGDALOX15HSD17B10

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 ALDH1A1 3073/4885GAA 291/4885HPGD 1083/4885
US-12005127-B2 DNA-PK inhibitors POLK, DTYMK, DCK ALDH1A1 3073/4885GAA 291/4885HPGD 1083/4885

“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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