SCHEMBL29968895

SCHEMBL29968895

O=C1N(CC2COC2)c2cnc3ccc(Br)cc3c2C12CC2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNKS O95271 1/20 0.34
▸ TNKS2 Q9H2K2 1/20 0.34
▸ GABRA1 P14867 1/20 0.33
▸ GABRG2 P18507 1/20 0.33
▸ GABRB3 P28472 1/20 0.33
▸ GABRA5 P31644 1/20 0.33
▸ GABRA3 P34903 1/20 0.33
▸ GABRA2 P47869 1/20 0.33
▸ GABRA6 Q16445 1/20 0.33
▸ ALDH1A1 P00352 3/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ PIM1 P11309 1/20 0.32
▸ AKT1 P31749 1/20 0.32
▸ FLT3 P36888 1/20 0.32
▸ PIM3 Q86V86 1/20 0.32
▸ DDR1 Q08345 2/20 0.32
▸ MAPT P10636 1/20 0.31
▸ HTT P42858 3/20 0.31
▸ SLC22A12 Q96S37 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
SCHEMBL21513331 1.00 TNKS (0.34) TNKSTNKS2GABRA1GABRG2GABRB3
SCHEMBL29968720 0.82 HTT (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26132075 0.82 HTT (0.39) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29969435 0.80 PIK3CA (0.41) MTOR
SCHEMBL21494494 0.76 CASP3 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30866560 0.76 CASP3 (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21494350 0.74 PRKDC (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21851058 0.74 PRKDC (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL29970121 0.74 PRKDC (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL21851210 0.74 IRAK4 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3

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 TNKS 41/4885TNKS2 36/4885GABRA1 4013/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 TNKS 41/4885TNKS2 36/4885GABRA1 4013/4885

“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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