SCHEMBL21513498

SCHEMBL21513498

COc1ccc2cc(-c3ccc4ncc5c(c4c3)C3(CC3)C(=O)N5C)ccc2n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 10/20 0.46
▸ PRKDC P78527 3/20 0.46
▸ HPGD P15428 1/20 0.40
▸ PIK3CA P42336 12/20 0.39
▸ MTOR P42345 11/20 0.39
▸ ATR Q13535 4/20 0.39
▸ ADORA1 P30542 1/20 0.36
▸ PIK3CD O00329 5/20 0.35
▸ PIK3CB P42338 4/20 0.35
▸ PIK3CG P48736 4/20 0.35
▸ CSNK2A2 P19784 1/20 0.35
▸ FECH P22830 1/20 0.35
▸ CLK1 P49759 1/20 0.35
▸ GSK3A P49840 1/20 0.35
▸ DYRK1A Q13627 1/20 0.35
▸ MELK Q14680 1/20 0.35
▸ MYLK3 Q32MK0 1/20 0.35
▸ PIK3C3 Q8NEB9 1/20 0.35
▸ PIP4K2C Q8TBX8 1/20 0.35
▸ TP53RK Q96S44 1/20 0.35

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
SCHEMBL29969092 1.00 ATM (0.46) ATMPRKDCHPGDPIK3CAMTOR
SCHEMBL29969038 0.89 ATM (0.47) ATMPRKDCPIK3CAMTORATR
SCHEMBL29968542 0.86 PRKDC (0.45) ATMPRKDCHPGDPIK3CAMTOR
SCHEMBL21513499 0.86 PRKDC (0.45) ATMPRKDCHPGDPIK3CAMTOR
SCHEMBL21513256 0.82 NPC1 (0.45) ATMPRKDCHPGDPIK3CAMTOR
SCHEMBL21513255 0.82 MTOR (0.49) ATMPRKDCPIK3CAMTORATR
SCHEMBL29968579 0.82 MTOR (0.49) ATMPRKDCPIK3CAMTORATR
SCHEMBL29968928 0.82 NPC1 (0.45) ATMPRKDCHPGDPIK3CAMTOR
SCHEMBL21513286 0.81 ATM (0.45) ATMPRKDCPIK3CAMTORATR
SCHEMBL29968839 0.81 ATM (0.45) 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 6 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-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 57/4885HPGD 1677/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 ATM 1/4885PRKDC 57/4885HPGD 1677/4885

“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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