SCHEMBL29969665

SCHEMBL29969665

CC(C)NCCOc1ncc(Br)cc1NS(=O)(=O)C1CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.41
PIK3CA P42336 8/20 0.40
PRKDC P78527 1/20 0.39
MRGPRX1 Q96LB2 6/20 0.36
IDH1 O75874 1/20 0.36
TSPO P30536 2/20 0.34
MTOR P42345 2/20 0.34
BRD4 O60885 1/20 0.33
ATM Q13315 1/20 0.33
ATR Q13535 1/20 0.33
TRIM24 O15164 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
SCHEMBL21512930 1.00 CNR2 (0.41) CNR2PIK3CAPRKDCMRGPRX1IDH1
SCHEMBL21513479 0.88 PRKDC (0.44) CNR2PIK3CAPRKDC
SCHEMBL29661229 0.88 PRKDC (0.44) CNR2PIK3CAPRKDC
SCHEMBL29629172 0.84 PRKDC (0.38) CNR2PRKDC
SCHEMBL21512929 0.84 CNR2 (0.39) CNR2PRKDCTSPOBRD4
SCHEMBL21513802 0.84 PRKDC (0.38) CNR2PRKDC
SCHEMBL3120337 0.82 MRGPRX1 (0.45) CNR2PIK3CAMRGPRX1TSPOMTOR
SCHEMBL21513803 0.82 PRKDC (0.37) CNR2PRKDC
SCHEMBL21513800 0.82 PRKDC (0.37) CNR2PRKDC
SCHEMBL29969548 0.82 PRKDC (0.37) CNR2PRKDC

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 CNR2 4823/4885PIK3CA 480/4885PRKDC 57/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 CNR2 4823/4885PIK3CA 480/4885PRKDC 57/4885

“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.