SCHEMBL20031059

SCHEMBL20031059

COc1cc2ncc3c(c2cc1OC)n(-c1ccc(C#N)cc1F)c(=O)n3C

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 17/20 0.77
ATM Q13315 2/20 0.77
FGFR1 P11362 1/20 0.41
FLT1 P17948 1/20 0.41
FGFR2 P21802 1/20 0.41
FGFR4 P22455 1/20 0.41
FGFR3 P22607 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41

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
SCHEMBL10059170 0.94 PRKDC (0.73) PRKDCATM
SCHEMBL167830 0.93 PRKDC (0.75) PRKDCATM
SCHEMBL166327 0.91 PRKDC (0.72) PRKDCATMKDR
SCHEMBL174519 0.91 PRKDC (0.67) PRKDCATM
SCHEMBL256573 0.91 PRKDC (0.74) PRKDCATMFGFR1FLT1FGFR2
SCHEMBL257304 0.90 PRKDC (0.67) PRKDCATMFGFR1FLT1FGFR2
SCHEMBL167978 0.88 PRKDC (0.80) PRKDCATMFGFR1FLT1FGFR2
SCHEMBL15064195 0.88 PRKDC (0.66) PRKDCATMFGFR1FLT1FGFR2
SCHEMBL168204 0.88 PRKDC (0.68) PRKDCATMFGFR1FLT1FGFR2
SCHEMBL15064244 0.88 PRKDC (0.66) PRKDCATMFGFR1FLT1FGFR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220088043-A1 METHOD FOR TREATING CANCER USING A COMBINATION OF DNA-DAMAGING AGENTS AND DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED 2022-03-24 US disclosed
US-11110108-B2 Method for treating cancer using a combination of DNA-damaging agents and DNA-PK inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2021-09-07 US disclosed
WO-2018064092-A1 METHOD FOR TREATING CANCER USING A COMBINATION OF DNA-DAMAGING AGENTS AND DNA-PK INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2018-04-05 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-20220088043-A1 METHOD FOR TREATING CANCER USING A COMBINATION OF DNA-DAMAGING AGENTS AND DNA-PK INHIBITORS TOP2B, TOP2A, TOP1 PRKDC 211/4885ATM 144/4885FGFR1 1950/4885
US-11110108-B2 Method for treating cancer using a combination of DNA-damaging agents and DNA-PK inhibitors TOP2B, TOP2A, TOP1 PRKDC 211/4885ATM 144/4885FGFR1 1950/4885

“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.