SCHEMBL29969181

SCHEMBL29969181

CC(=O)N1CCC(N2CC3(C2)C(=O)N(C)c2cnc4cc(F)c(Br)cc4c23)CC1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 1/20 0.34
▸ IRAK4 Q9NWZ3 1/20 0.34
▸ ACACB O00763 6/20 0.34
▸ ACACA Q13085 6/20 0.34
▸ CYP11B1 P15538 2/20 0.33
▸ CYP11B2 P19099 1/20 0.33
▸ RAF1 P04049 1/20 0.33
▸ MAP2K1 Q02750 1/20 0.33
▸ IDO1 P14902 1/20 0.33
▸ PIK3CA P42336 3/20 0.33
▸ MTOR P42345 3/20 0.33
▸ ATM Q13315 1/20 0.33
▸ ATR Q13535 1/20 0.33
▸ MARK3 P27448 1/20 0.33
▸ ACVR1 Q04771 1/20 0.32
▸ L3MBTL4 Q8NA19 1/20 0.31
▸ L3MBTL3 Q96JM7 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL26130605 1.00 PRKDC (0.34) PRKDCIRAK4ACACBACACACYP11B1
SCHEMBL26129867 0.93 PRKDC (0.34) PRKDCIRAK4L3MBTL4L3MBTL3L3MBTL1
SCHEMBL26129474 0.90 IRAK4 (0.37) PRKDCIRAK4ACVR1
SCHEMBL29969934 0.90 IRAK4 (0.37) PRKDCIRAK4ACVR1
SCHEMBL21513694 0.90 IRAK4 (0.39) PRKDCIRAK4ATM
SCHEMBL29969676 0.89 PRKDC (0.38) PRKDCATM
SCHEMBL21513188 0.89 PRKDC (0.38) PRKDCATM
SCHEMBL29969363 0.88 HRH3 (0.40) PRKDCIRAK4IDO1PIK3CAMTOR
SCHEMBL26589526 0.88 HRH3 (0.40) PRKDCIRAK4IDO1PIK3CAMTOR
SCHEMBL21513681 0.88 PRKDC (0.39) PRKDCIRAK4ATM

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 4 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-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 — — EP 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 PRKDC 57/4885IRAK4 1142/4885ACACB 2212/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 PRKDC 57/4885IRAK4 1142/4885ACACB 2212/4885

“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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