SCHEMBL22941968

SCHEMBL22941968

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ OPRK1 P41145 8/20 0.36
▸ JAK3 P52333 4/20 0.36
▸ JAK2 O60674 3/20 0.36
▸ JAK1 P23458 1/20 0.36
▸ HRH4 Q9H3N8 1/20 0.34
▸ CYP1A2 P05177 2/20 0.33
▸ CYP2C9 P11712 2/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ CCR6 P51684 1/20 0.33
▸ MAPT P10636 1/20 0.33

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
SCHEMBL29968129 0.90 JAK2 (0.43) ALDH1A1MAPK1HTTOPRK1JAK3
SCHEMBL26130781 0.90 JAK2 (0.43) ALDH1A1MAPK1HTTOPRK1JAK3
SCHEMBL26127971 0.88 ALDH1A1 (0.40) ALDH1A1MAPK1HTTOPRK1JAK3
SCHEMBL29969671 0.88 ALDH1A1 (0.40) ALDH1A1MAPK1HTTOPRK1JAK3
SCHEMBL29493167 0.87 ALDH1A1 (0.47) ALDH1A1MAPK1HTTOPRK1JAK3
SCHEMBL26130393 0.87 ALDH1A1 (0.47) ALDH1A1MAPK1HTTOPRK1JAK3
SCHEMBL26130281 0.87 ALDH1A1 (0.39) ALDH1A1MAPK1HTTOPRK1JAK3
SCHEMBL29969938 0.84 ALDH1A1 (0.40) ALDH1A1MAPK1HTTOPRK1JAK3
SCHEMBL26131044 0.84 ALDH1A1 (0.40) ALDH1A1MAPK1HTTOPRK1JAK3
SCHEMBL29968653 0.83 ALDH1A1 (0.36) ALDH1A1MAPK1HTTOPRK1JAK3

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119684291-A Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy 艾科思莱德制药公司 2025-03-25 — — CN disclosed
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy XRAD THERAPEUTICS, INC. (US) 2025-01-07 — — US disclosed
CN-114258301-B Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy 艾科思莱德制药公司 2024-11-08 — — CN 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-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 — — EP disclosed
EP-4288423-A1 COMBINATION OF DUAL ATM AND DNA-PK INHIBITORS AND IMMUNOTHERAPEUTIC AGENTS FOR USE IN CANCER THERAPY XRad Therapeutics, Inc. (US) 2023-12-13 — — EP disclosed
CN-117015534-A Combination of dual ATM and DNA-PK inhibitors for cancer therapy and immunotherapeutic agents 艾科思莱德制药公司 2023-11-07 — — CN 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
WO-2022169840-A1 COMBINATION OF DUAL ATM AND DNA-PK INHIBITORS AND IMMUNOTHERAPEUTIC AGENTS FOR USE IN CANCER THERAPY XRAD THERAPEUTICS, INC. (US) 2022-08-11 — — WO disclosed
EP-4003345-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2022-06-01 — — EP disclosed
US-20220142995-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD HOLDING CAYMAN LIMITED (KY) 2022-05-12 — — US disclosed
CN-114258301-A Dual ATM and DNA-PK inhibitors for use in antitumor therapy 艾科思莱德制药公司 2022-03-29 — — CN disclosed
WO-2021022078-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS, INC. (US) 2021-02-04 — — WO 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 (3 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 ALDH1A1 3354/4885MAPK1 1184/4885HTT 2506/4885
US-20220142995-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY ATM, CHEK2, CHEK1 ALDH1A1 3154/4885MAPK1 963/4885HTT 2365/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 ALDH1A1 3354/4885MAPK1 1184/4885HTT 2506/4885

“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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