SCHEMBL29969894

SCHEMBL29969894

COc1ccc(-c2ccc3ncc4c(c3c2)C2(COC2)C(=O)N4C)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 12/20 0.45
▸ ATM Q13315 11/20 0.45
▸ MTOR P42345 10/20 0.45
▸ ATR Q13535 6/20 0.45
▸ PRKDC P78527 3/20 0.44
▸ PIK3CD O00329 7/20 0.43
▸ PIK3CB P42338 5/20 0.41
▸ PIK3CG P48736 4/20 0.41
▸ KCNH2 Q12809 2/20 0.41
▸ CSNK2A2 P19784 1/20 0.40
▸ FECH P22830 1/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ DYRK1A Q13627 1/20 0.40
▸ MELK Q14680 1/20 0.40
▸ MYLK3 Q32MK0 1/20 0.40
▸ PIK3C3 Q8NEB9 1/20 0.40
▸ PIP4K2C Q8TBX8 1/20 0.40
▸ TP53RK Q96S44 1/20 0.40
▸ HSD17B1 P14061 1/20 0.40

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
SCHEMBL29969038 0.91 ATM (0.47) PIK3CAATMMTORATRPRKDC
SCHEMBL29969843 0.85 ATM (0.57) PIK3CAATMMTORATRPRKDC
SCHEMBL24089043 0.81 ATM (0.47) PIK3CAATMMTORATRPRKDC
SCHEMBL21513498 0.80 ATM (0.46) PIK3CAATMMTORATRPRKDC
SCHEMBL29969092 0.80 ATM (0.46) PIK3CAATMMTORATRPRKDC
SCHEMBL21512780 0.79 CASP3 (0.39) ATMPRKDC
SCHEMBL29968775 0.79 CASP3 (0.39) ATMPRKDC
SCHEMBL21513283 0.78 PIK3CD (0.58) PIK3CAATMMTORPRKDCPIK3CD
SCHEMBL29969435 0.77 PIK3CA (0.41) PIK3CAATMMTORATRPRKDC
SCHEMBL29969221 0.77 ATM (0.47) PIK3CAATMMTORATRPRKDC

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 PIK3CA 480/4885ATM 1/4885MTOR 660/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 PIK3CA 480/4885ATM 1/4885MTOR 660/4885

“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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