SCHEMBL29968351

SCHEMBL29968351

CN(C)CCCOc1ncc(Br)cc1NS(=O)(=O)c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 10/20 0.55
▸ CACNA1H O95180 8/20 0.55
▸ PIK3CA P42336 5/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ MTOR P42345 1/20 0.40

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
SCHEMBL21512853 1.00 CACNA1B (0.55) CACNA1BCACNA1HPIK3CAMEN1KMT2A
SCHEMBL21513762 0.90 ALDH1A1 (0.48) CACNA1BCACNA1HMEN1KMT2AALDH1A1
SCHEMBL29968192 0.90 ALDH1A1 (0.48) CACNA1BCACNA1HMEN1KMT2AALDH1A1
SCHEMBL29970032 0.89 CACNA1B (0.51) CACNA1BCACNA1HPIK3CAMEN1KMT2A
SCHEMBL21512864 0.89 CACNA1B (0.43) CACNA1BCACNA1HPIK3CAMEN1KMT2A
SCHEMBL21513750 0.89 CACNA1B (0.56) CACNA1BCACNA1HPIK3CAALDH1A1MTOR
SCHEMBL29969883 0.89 CACNA1B (0.56) CACNA1BCACNA1HPIK3CAALDH1A1MTOR
SCHEMBL21513746 0.88 CACNA1B (0.48) CACNA1BCACNA1HPIK3CAALDH1A1MTOR
SCHEMBL29969263 0.88 CACNA1B (0.48) CACNA1BCACNA1HPIK3CAALDH1A1MTOR
SCHEMBL21512821 0.88 EDNRB (0.46) CACNA1BCACNA1HALDH1A1

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 CACNA1B 4878/4885CACNA1H 4862/4885PIK3CA 480/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 CACNA1B 4878/4885CACNA1H 4862/4885PIK3CA 480/4885

“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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