SCHEMBL29969236

SCHEMBL29969236

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

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.37
CNR2 P34972 1/20 0.36
AAK1 Q2M2I8 1/20 0.33
ALDH1A1 P00352 4/20 0.32
KDM4E B2RXH2 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.31
PLA2G1B P04054 1/20 0.31
ATG4B Q9Y4P1 1/20 0.31
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL21513800 1.00 PRKDC (0.37) PRKDCCNR2AAK1ALDH1A1KDM4E
SCHEMBL29661229 0.88 PRKDC (0.44) PRKDCCNR2ALDH1A1KDM4EMEN1
SCHEMBL21513479 0.88 PRKDC (0.44) PRKDCCNR2ALDH1A1KDM4EMEN1
SCHEMBL21512929 0.86 CNR2 (0.39) PRKDCCNR2ALDH1A1KDM4EMEN1
SCHEMBL29629172 0.86 PRKDC (0.38) PRKDCCNR2AAK1ALDH1A1KDM4E
SCHEMBL21513802 0.86 PRKDC (0.38) PRKDCCNR2AAK1ALDH1A1KDM4E
SCHEMBL29969548 0.84 PRKDC (0.37) PRKDCCNR2ALDH1A1KDM4EMEN1
SCHEMBL21513803 0.84 PRKDC (0.37) PRKDCCNR2ALDH1A1KDM4EMEN1
SCHEMBL21512930 0.82 CNR2 (0.41) PRKDCCNR2
SCHEMBL29969665 0.82 CNR2 (0.41) PRKDCCNR2

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 PRKDC 57/4885CNR2 4823/4885AAK1 642/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 PRKDC 57/4885CNR2 4823/4885AAK1 642/4885

“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.