SCHEMBL29968751

SCHEMBL29968751

CN(C)C1CN(c2ncc(Br)cc2NS(=O)(=O)C2CC2)C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 3/20 0.37
▸ BRD4 O60885 2/20 0.37
▸ OPRK1 P41145 14/20 0.37
▸ EGFR P00533 1/20 0.37
▸ PIK3CA P42336 1/20 0.34
▸ TDP1 Q9NUW8 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
SCHEMBL29969052 0.90 OPRK1 (0.45) JAK2BRD4OPRK1EGFRPIK3CA
SCHEMBL21512822 0.90 OPRK1 (0.45) JAK2BRD4OPRK1EGFRPIK3CA
SCHEMBL21513454 0.89 OPRK1 (0.36) JAK2OPRK1EGFR
SCHEMBL21512611 0.86 OPRK1 (0.36) OPRK1
SCHEMBL29969050 0.86 OPRK1 (0.36) OPRK1
SCHEMBL21513453 0.85 OPRK1 (0.34) OPRK1EGFRPIK3CATDP1
SCHEMBL29969776 0.85 OPRK1 (0.34) OPRK1EGFRPIK3CATDP1
SCHEMBL29969075 0.85 JAK2 (0.36) JAK2OPRK1
SCHEMBL26131704 0.85 JAK2 (0.36) JAK2OPRK1
SCHEMBL29969608 0.83 OPRK1 (0.43) JAK2OPRK1EGFR

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 JAK2 925/4885BRD4 1523/4885OPRK1 3281/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 JAK2 925/4885BRD4 1523/4885OPRK1 3281/4885

“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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