SCHEMBL29969221

SCHEMBL29969221

Cc1ccc(-c2ccc3ncc4c(c3c2)C2(CC2)C(=O)N4C)cn1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 9/20 0.47
▸ PRKDC P78527 4/20 0.47
▸ MTOR P42345 4/20 0.44
▸ PRMT5 O14744 1/20 0.38
▸ WDR77 Q9BQA1 1/20 0.38
▸ ATR Q13535 4/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ PIK3CA P42336 3/20 0.35
▸ PIK3CD O00329 2/20 0.35
▸ PIK3CB P42338 1/20 0.35
▸ PI4KA P42356 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ PI4KB Q9UBF8 1/20 0.35
▸ ACVR1 Q04771 1/20 0.35
▸ CLK1 P49759 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ MCHR1 Q99705 1/20 0.33

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
SCHEMBL29969564 0.86 ATM (0.47) ATMPRKDCMTORATRIRAK4
SCHEMBL26131176 0.86 ATM (0.47) ATMPRKDCMTORATRIRAK4
SCHEMBL29969038 0.86 ATM (0.47) ATMPRKDCMTORATRKCNH2
SCHEMBL21513819 0.85 PRKDC (0.46) ATMPRKDCPIK3CDACVR1
SCHEMBL21513491 0.85 ATM (0.46) ATMPRKDCMTORATRKCNH2
SCHEMBL29968635 0.85 PRKDC (0.46) ATMPRKDCPIK3CDACVR1
SCHEMBL21851056 0.84 ATM (0.46) ATMPRKDCMTORATRKCNH2
SCHEMBL21513256 0.84 NPC1 (0.45) ATMPRKDCMTORKCNH2PIK3CA
SCHEMBL21513255 0.84 MTOR (0.49) ATMPRKDCMTORPRMT5WDR77
SCHEMBL29968579 0.84 MTOR (0.49) ATMPRKDCMTORPRMT5WDR77

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 57/4885MTOR 660/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 ATM 1/4885PRKDC 57/4885MTOR 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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