SCHEMBL29629154

SCHEMBL29629154

CC(C)NCCOc1ncc(-c2cc3c4c(cnc3cc2F)N(C)C(=O)C42CCC2)cc1NS(C)(=O)=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PRKDC P78527 3/20 1.00
▸ ATM Q13315 3/20 0.54
▸ PIK3CA P42336 8/20 0.33
▸ SCN9A Q15858 7/20 0.33
▸ PIK3CD O00329 7/20 0.33
▸ PIK3CB P42338 7/20 0.33
▸ PIK3CG P48736 7/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ MTOR P42345 1/20 0.33
▸ PIK3R1 P27986 2/20 0.33
▸ SCN5A Q14524 1/20 0.33
▸ KCNH2 Q12809 1/20 0.32

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
SCHEMBL21513069 1.00 PRKDC (1.00) PRKDCATMPIK3CASCN9APIK3CD
Hydrochloric Acid SCHEMBL29629170 0.99 PRKDC (0.99) PRKDCATMPIK3CASCN9APIK3CD
SCHEMBL22941911 0.95 PRKDC (0.90) PRKDCATMPIK3CASCN9APIK3CD
SCHEMBL29629176 0.95 PRKDC (0.90) PRKDCATMPIK3CASCN9APIK3CD
SCHEMBL22941899 0.94 PRKDC (0.89) PRKDCATMPIK3CDPIK3CGKCNH2
SCHEMBL29661254 0.94 PRKDC (0.89) PRKDCATMPIK3CDPIK3CGKCNH2
Hydrochloric Acid SCHEMBL29629181 0.94 PRKDC (0.89) PRKDCATMPIK3CAPIK3CDPIK3CB
SCHEMBL21513816 0.94 PRKDC (0.88) PRKDCATMKCNH2
Hydrochloric Acid SCHEMBL29735635 0.94 PRKDC (0.88) PRKDCATMPIK3CDPIK3CGKCNH2
SCHEMBL21513826 0.94 PRKDC (0.88) PRKDCATMPIK3CASCN9APIK3CD

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
EP-4003345-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2024-12-04 — — EP 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 (1 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-20220142995-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY ATM, CHEK2, CHEK1 PRKDC 67/4885ATM 1/4885PIK3CA 460/4885

“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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