SCHEMBL29969605

SCHEMBL29969605

CN(C(=O)OC(C)(C)C)C1CN(c2ncc(Br)cc2[N+](=O)[O-])C1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AAK1 Q2M2I8 1/20 0.37
▸ OPRK1 P41145 11/20 0.37
▸ PDE10A Q9Y233 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ ADORA2A P29274 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ KDM4D Q6B0I6 1/20 0.33
▸ SPR P35270 1/20 0.32
▸ JAK2 O60674 1/20 0.32

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
SCHEMBL26130281 0.85 ALDH1A1 (0.39) OPRK1ALDH1A1MAPK1HTTACACB
SCHEMBL29969620 0.83 PDE10A (0.38) AAK1OPRK1PDE10AADORA2AADORA2B
SCHEMBL21513420 0.83 PDE10A (0.38) AAK1OPRK1PDE10AADORA2AADORA2B
SCHEMBL22941968 0.81 ALDH1A1 (0.43) OPRK1ALDH1A1MAPK1HTTJAK2
SCHEMBL29970093 0.80 GPR119 (0.40) OPRK1ALDH1A1MAPK1HTTGPR119
SCHEMBL26590306 0.80 PDE10A (0.41) OPRK1PDE10AALDH1A1MAPK1HTT
SCHEMBL29969656 0.80 PDE10A (0.41) OPRK1PDE10AALDH1A1MAPK1HTT
SCHEMBL21512876 0.78 PIK3CD (0.41) AAK1OPRK1PDE10AADORA2AADORA2B
SCHEMBL30613862 0.78 PIK3CD (0.41) AAK1OPRK1PDE10AADORA2AADORA2B
SCHEMBL14895185 0.77 HRH4 (0.40) AAK1OPRK1PDE10AADORA2AADORA2B

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 AAK1 642/4885OPRK1 3281/4885PDE10A 1423/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 AAK1 642/4885OPRK1 3281/4885PDE10A 1423/4885

“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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