SCHEMBL29968928

SCHEMBL29968928

CN1C(=O)C2(CC2)c2c1cnc1ccc(-c3ccc4ncccc4c3)cc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.45
▸ POLB P06746 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ PRKDC P78527 4/20 0.44
▸ ATM Q13315 3/20 0.44
▸ EGFR P00533 1/20 0.41
▸ ERBB2 P04626 1/20 0.41
▸ ERBB4 Q15303 1/20 0.41
▸ MTOR P42345 4/20 0.41
▸ PIK3CA P42336 3/20 0.40
▸ PIK3C2A O00443 1/20 0.40
▸ PIK3C2B O00750 1/20 0.40
▸ METAP2 P50579 1/20 0.39
▸ DYRK1A Q13627 2/20 0.39
▸ WNT1 P04628 1/20 0.39
▸ ACVR1 Q04771 1/20 0.39
▸ PIK3CD O00329 3/20 0.38
▸ SERPINA2 P20848 1/20 0.38
▸ PIK3CB P42338 1/20 0.38
▸ PIK3CG P48736 1/20 0.38

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
SCHEMBL21513256 1.00 NPC1 (0.45) NPC1POLBRAB9APRKDCATM
SCHEMBL29968579 0.92 MTOR (0.49) PRKDCATMMTORPIK3CAPIK3C2A
SCHEMBL21513255 0.92 MTOR (0.49) PRKDCATMMTORPIK3CAPIK3C2A
SCHEMBL21513240 0.90 PRKDC (0.45) NPC1POLBRAB9APRKDCATM
SCHEMBL21513819 0.87 PRKDC (0.46) PRKDCATMACVR1PIK3CD
SCHEMBL29968635 0.87 PRKDC (0.46) PRKDCATMACVR1PIK3CD
SCHEMBL29968542 0.84 PRKDC (0.45) PRKDCATMEGFRMTORPIK3CA
SCHEMBL21513499 0.84 PRKDC (0.45) PRKDCATMEGFRMTORPIK3CA
SCHEMBL29969221 0.84 ATM (0.47) PRKDCATMMTORPIK3CADYRK1A
SCHEMBL21513498 0.82 ATM (0.46) PRKDCATMMTORPIK3CADYRK1A

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 NPC1 2461/4885POLB 27/4885RAB9A 3200/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 NPC1 2461/4885POLB 27/4885RAB9A 3200/4885

“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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