SCHEMBL29629172

SCHEMBL29629172

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 1/20 0.38
CNR2 P34972 1/20 0.37
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
PI4KA P42356 1/20 0.32
PIK3CG P48736 1/20 0.32
AAK1 Q2M2I8 1/20 0.32
NPC1 O15118 1/20 0.31
HTR1B P28222 1/20 0.31
ADRB2 P07550 1/20 0.31
PIK3CD O00329 1/20 0.30
ADRB3 P13945 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
SCHEMBL21513802 1.00 PRKDC (0.38) PRKDCCNR2KDM4EALDH1A1MEN1
SCHEMBL29661229 0.90 PRKDC (0.44) PRKDCCNR2KDM4EALDH1A1MEN1
SCHEMBL21513479 0.90 PRKDC (0.44) PRKDCCNR2KDM4EALDH1A1MEN1
SCHEMBL21512929 0.88 CNR2 (0.39) PRKDCCNR2KDM4EALDH1A1MEN1
SCHEMBL29969236 0.86 PRKDC (0.37) PRKDCCNR2KDM4EALDH1A1MEN1
SCHEMBL21513803 0.86 PRKDC (0.37) PRKDCCNR2KDM4EALDH1A1MEN1
SCHEMBL29969548 0.86 PRKDC (0.37) PRKDCCNR2KDM4EALDH1A1MEN1
SCHEMBL21513800 0.86 PRKDC (0.37) PRKDCCNR2KDM4EALDH1A1MEN1
SCHEMBL21512930 0.84 CNR2 (0.41) PRKDCCNR2
SCHEMBL29969665 0.84 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 5 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-4003345-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2024-12-04 EP disclosed
CN-114258301-B Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy 艾科思莱德制药公司 2024-11-08 CN 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
US-20220142995-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD HOLDING CAYMAN LIMITED (KY) 2022-05-12 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 (3 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 4823/4885KDM4E 1653/4885
US-20220142995-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY ATM, CHEK2, CHEK1 PRKDC 67/4885CNR2 4831/4885KDM4E 1754/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 PRKDC 57/4885CNR2 4823/4885KDM4E 1653/4885

“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.