SCHEMBL29969038

SCHEMBL29969038

COc1ccc(-c2ccc3ncc4c(c3c2)C2(CC2)C(=O)N4C)cn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 6/20 0.47
▸ PRKDC P78527 2/20 0.47
▸ PIK3CA P42336 11/20 0.47
▸ MTOR P42345 5/20 0.47
▸ ATR Q13535 3/20 0.47
▸ PIK3CD O00329 10/20 0.45
▸ PIK3CB P42338 7/20 0.43
▸ PIK3CG P48736 6/20 0.43
▸ KCNH2 Q12809 3/20 0.43
▸ HSD17B1 P14061 1/20 0.42
▸ HSD17B2 P37059 1/20 0.42
▸ CSNK2A2 P19784 1/20 0.41
▸ FECH P22830 1/20 0.41
▸ CLK1 P49759 1/20 0.41
▸ GSK3A P49840 1/20 0.41
▸ DYRK1A Q13627 1/20 0.41
▸ MELK Q14680 1/20 0.41
▸ MYLK3 Q32MK0 1/20 0.41
▸ PIK3C3 Q8NEB9 1/20 0.41
▸ PIP4K2C Q8TBX8 1/20 0.41

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
SCHEMBL29969894 0.91 PIK3CA (0.45) ATMPRKDCPIK3CAMTORATR
SCHEMBL29969092 0.89 ATM (0.46) ATMPRKDCPIK3CAMTORATR
SCHEMBL21513498 0.89 ATM (0.46) ATMPRKDCPIK3CAMTORATR
SCHEMBL29969221 0.86 ATM (0.47) ATMPRKDCPIK3CAMTORATR
SCHEMBL21513239 0.85 ATM (0.61) ATMPRKDCPIK3CAMTORATR
SCHEMBL29968606 0.85 ATM (0.61) ATMPRKDCPIK3CAMTORATR
SCHEMBL29969752 0.84 PIK3CA (0.42) ATMPRKDCPIK3CAMTORATR
SCHEMBL29969564 0.84 ATM (0.47) ATMPRKDCPIK3CAMTORATR
SCHEMBL26131176 0.84 ATM (0.47) ATMPRKDCPIK3CAMTORATR
SCHEMBL24089043 0.83 ATM (0.47) 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 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 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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