SCHEMBL21513232

SCHEMBL21513232

CN(C)CC1CN(c2ncc(Br)cc2N)C1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 11/20 0.33
▸ HRH4 Q9H3N8 3/20 0.33
▸ CCR4 P51679 1/20 0.31
▸ ACACB O00763 1/20 0.31
▸ JAK2 O60674 3/20 0.31
▸ JAK1 P23458 2/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 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
SCHEMBL29968822 0.86 OPRK1 (0.40) OPRK1
SCHEMBL21513247 0.86 OPRK1 (0.40) OPRK1
SCHEMBL21513231 0.81 HRH3 (0.42) OPRK1HRH4ACACBJAK2JAK1
SCHEMBL21513427 0.80 HRH3 (0.34) OPRK1HRH4ACACBJAK2JAK1
SCHEMBL29968199 0.80 HRH3 (0.34) OPRK1HRH4ACACBJAK2JAK1
SCHEMBL29969938 0.78 ALDH1A1 (0.40) OPRK1HRH4CCR4ACACBJAK2
SCHEMBL26131044 0.78 ALDH1A1 (0.40) OPRK1HRH4CCR4ACACBJAK2
SCHEMBL26590393 0.76 OPRK1 (0.36) OPRK1
SCHEMBL26129799 0.75 OPRK1 (0.39) OPRK1ACACB
SCHEMBL29969990 0.75 OPRK1 (0.35) OPRK1

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 7 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-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
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-2019201283-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS, INC. (US) 2019-10-24 — — 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 (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 OPRK1 3281/4885HRH4 4614/4885CCR4 4246/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 OPRK1 3281/4885HRH4 4614/4885CCR4 4246/4885

“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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