SCHEMBL29968853

SCHEMBL29968853

CN1C(=O)C2(CN(C3CCOCC3)C2)c2c1cnc1cc(F)c(Br)cc21

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 8/20 0.42
▸ PRKDC P78527 3/20 0.36
▸ ATM Q13315 4/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ CHRM2 P08172 1/20 0.33
▸ CHRM4 P08173 1/20 0.33
▸ CHRM5 P08912 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ PIK3CA P42336 2/20 0.32
▸ MTOR P42345 2/20 0.32
▸ GSK3B P49841 1/20 0.31
▸ DYRK1A Q13627 1/20 0.31
▸ MC4R P32245 1/20 0.31
▸ ATR Q13535 1/20 0.30
▸ DDR1 Q08345 1/20 0.30

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
SCHEMBL26130364 1.00 IRAK4 (0.42) IRAK4PRKDCATMKCNH2CHRM2
SCHEMBL21513694 0.93 IRAK4 (0.39) IRAK4PRKDCATMCHRM1
SCHEMBL21513681 0.91 PRKDC (0.39) IRAK4PRKDCATMCHRM1
SCHEMBL29969709 0.91 PRKDC (0.39) IRAK4PRKDCATMCHRM1
SCHEMBL29969799 0.91 PRKDC (0.39) IRAK4PRKDCATMCHRM1
SCHEMBL21513687 0.91 PRKDC (0.39) IRAK4PRKDCATMCHRM1
SCHEMBL29969283 0.90 PRKDC (0.38) IRAK4PRKDCATMCHRM1
SCHEMBL21513688 0.90 PRKDC (0.38) IRAK4PRKDCATMCHRM1
SCHEMBL29969934 0.89 IRAK4 (0.37) IRAK4PRKDCCHRM1DDR1
SCHEMBL26129474 0.89 IRAK4 (0.37) IRAK4PRKDCCHRM1DDR1

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-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy XRAD THERAPEUTICS, INC. (US) 2025-01-07 — — US disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 — — EP disclosed
US-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD HOLDING CAYMAN LIMITED (KY) 2022-10-06 — — 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 (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-20220315606-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY ATM, CHEK2, CHEK1 IRAK4 1142/4885PRKDC 57/4885ATM 1/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 IRAK4 1142/4885PRKDC 57/4885ATM 1/4885

“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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