SCHEMBL29969608

SCHEMBL29969608

CN(C)C1CCN(c2ncc(Br)cc2NS(C)(=O)=O)C1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 9/20 0.43
▸ JAK2 O60674 4/20 0.41
▸ JAK1 P23458 3/20 0.41
▸ TRPV1 Q8NER1 2/20 0.41
▸ JAK3 P52333 1/20 0.39
▸ EGFR P00533 1/20 0.39
▸ HDAC6 Q9UBN7 1/20 0.38
▸ MCHR1 Q99705 1/20 0.37
▸ HRH4 Q9H3N8 1/20 0.37

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
SCHEMBL26131525 1.00 OPRK1 (0.43) OPRK1JAK2JAK1TRPV1JAK3
SCHEMBL26590381 0.93 OPRK1 (0.47) OPRK1EGFR
SCHEMBL21513454 0.91 OPRK1 (0.36) OPRK1JAK2JAK1TRPV1EGFR
SCHEMBL21512822 0.84 OPRK1 (0.45) OPRK1JAK2EGFR
SCHEMBL29969052 0.84 OPRK1 (0.45) OPRK1JAK2EGFR
SCHEMBL29969465 0.83 OPRK1 (0.46) OPRK1
SCHEMBL21512940 0.83 OPRK1 (0.46) OPRK1
SCHEMBL29968751 0.83 JAK2 (0.37) OPRK1JAK2EGFR
SCHEMBL29969876 0.82 OPRK1 (0.47) OPRK1TRPV1
SCHEMBL26132379 0.82 OPRK1 (0.47) OPRK1TRPV1

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 2 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
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 OPRK1 3281/4885JAK2 925/4885JAK1 1427/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 OPRK1 3281/4885JAK2 925/4885JAK1 1427/4885

“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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