SCHEMBL29970121

SCHEMBL29970121

CN1C(=O)C2(CCOCC2)c2c1cnc1ccc(Br)cc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 5/20 0.41
▸ ATM Q13315 3/20 0.39
▸ RXFP1 Q9HBX9 2/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ GABRA1 P14867 1/20 0.35
▸ GABRG2 P18507 1/20 0.35
▸ GABRB3 P28472 1/20 0.35
▸ GABRA5 P31644 1/20 0.35
▸ GABRA3 P34903 1/20 0.35
▸ GABRA2 P47869 1/20 0.35
▸ GABRA6 Q16445 1/20 0.35
▸ HTT P42858 3/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ AHR P35869 1/20 0.35
▸ CHEK1 O14757 1/20 0.34
▸ PIM1 P11309 1/20 0.34
▸ AKT1 P31749 1/20 0.34
▸ FLT3 P36888 1/20 0.34
▸ PIM3 Q86V86 1/20 0.34

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
SCHEMBL21494350 1.00 PRKDC (0.41) PRKDCATMRXFP1CASP3GABRA1
SCHEMBL30866560 0.92 CASP3 (0.41) PRKDCATMCASP3GABRA1GABRG2
SCHEMBL21494494 0.92 CASP3 (0.41) PRKDCATMCASP3GABRA1GABRG2
SCHEMBL21512757 0.90 PRKDC (0.44) PRKDCATMCASP3GABRA1GABRG2
SCHEMBL29969126 0.90 PRKDC (0.44) PRKDCATMCASP3GABRA1GABRG2
SCHEMBL21512642 0.90 PRKDC (0.46) PRKDCATMCASP3GABRA1GABRG2
SCHEMBL29968775 0.88 CASP3 (0.39) PRKDCATMRXFP1CASP3GABRA1
SCHEMBL21512780 0.88 CASP3 (0.39) PRKDCATMRXFP1CASP3GABRA1
SCHEMBL21494313 0.88 PRKDC (0.43) PRKDCATMCASP3GABRA1GABRG2
SCHEMBL29969513 0.88 PRKDC (0.43) PRKDCATMCASP3GABRA1GABRG2

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
CN-112469720-B Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy 艾科思莱德制药公司 2024-03-29 — — CN claimed
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy XRAD THERAPEUTICS, INC. (US) 2025-01-07 — — US 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 57/4885ATM 1/4885RXFP1 4647/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 PRKDC 57/4885ATM 1/4885RXFP1 4647/4885

“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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