SCHEMBL21513239

SCHEMBL21513239

CN(C)CCCOc1ccc(-c2ccc3ncc4c(c3c2)C2(CC2)C(=O)N4C)cn1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 19/20 0.61
▸ PRKDC P78527 3/20 0.61
▸ PIK3CA P42336 14/20 0.56
▸ MTOR P42345 13/20 0.56
▸ ATR Q13535 3/20 0.56
▸ PIK3CD O00329 1/20 0.52
▸ PIK3CB P42338 1/20 0.52
▸ PIK3CG P48736 1/20 0.52
▸ KCNH2 Q12809 1/20 0.49

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
SCHEMBL29968606 1.00 ATM (0.61) ATMPRKDCPIK3CAMTORATR
SCHEMBL21851057 0.96 ATM (0.60) ATMPRKDCPIK3CAMTORATR
SCHEMBL21851110 0.96 ATM (0.63) ATMPRKDCPIK3CAMTORATR
SCHEMBL21851163 0.95 ATM (0.57) ATMPRKDCPIK3CAMTORATR
SCHEMBL21851105 0.95 ATM (0.58) ATMPRKDCPIK3CAMTORATR
SCHEMBL21851103 0.94 ATM (0.58) ATMPRKDCPIK3CAMTORATR
SCHEMBL21851114 0.94 ATM (0.63) ATMPRKDCPIK3CAMTORATR
SCHEMBL21851122 0.93 ATM (0.56) ATMPRKDCPIK3CAMTORATR
SCHEMBL21851064 0.93 ATM (0.56) ATMPRKDCPIK3CAMTORATR
SCHEMBL29969843 0.92 ATM (0.57) ATMPRKDCPIK3CAMTORATR

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 7 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-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
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
WO-2019201283-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS, INC. (US) 2019-10-24 — — WO 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 ATM 1/4885PRKDC 57/4885PIK3CA 480/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 ATM 1/4885PRKDC 57/4885PIK3CA 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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