SCHEMBL29969564

SCHEMBL29969564

CN1C(=O)C2(CC2)c2c1cnc1ccc(-c3cnc(N)nc3)cc21

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ATM Q13315 6/20 0.47
▸ PIK3CA P42336 6/20 0.47
▸ MTOR P42345 3/20 0.47
▸ ATR Q13535 2/20 0.47
▸ PRKDC P78527 5/20 0.47
▸ PIK3CD O00329 1/20 0.39
▸ MET P08581 2/20 0.36
▸ IRAK4 Q9NWZ3 1/20 0.36
▸ ALOX5AP P20292 1/20 0.36
▸ EGFR P00533 3/20 0.35
▸ ACVR1 Q04771 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
SCHEMBL26131176 1.00 ATM (0.47) ATMPIK3CAMTORATRPRKDC
SCHEMBL21513491 0.87 ATM (0.46) ATMPIK3CAMTORATRPRKDC
SCHEMBL29969221 0.86 ATM (0.47) ATMPIK3CAMTORATRPRKDC
SCHEMBL29968635 0.85 PRKDC (0.46) ATMPRKDCPIK3CDACVR1
SCHEMBL21513819 0.85 PRKDC (0.46) ATMPRKDCPIK3CDACVR1
SCHEMBL21513255 0.84 MTOR (0.49) ATMPIK3CAMTORATRPRKDC
SCHEMBL29968579 0.84 MTOR (0.49) ATMPIK3CAMTORATRPRKDC
SCHEMBL29969038 0.84 ATM (0.47) ATMPIK3CAMTORATRPRKDC
SCHEMBL21851056 0.82 ATM (0.46) ATMPIK3CAMTORATRPRKDC
SCHEMBL21513256 0.81 NPC1 (0.45) ATMPIK3CAMTORPRKDCPIK3CD

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