SCHEMBL29968579

SCHEMBL29968579

CN1C(=O)C2(CC2)c2c1cnc1ccc(-c3cnc4ccccc4c3)cc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 9/20 0.49
▸ PIK3CA P42336 10/20 0.48
▸ PIK3C2A O00443 2/20 0.48
▸ PIK3C2B O00750 2/20 0.48
▸ PRKDC P78527 4/20 0.47
▸ ATM Q13315 4/20 0.47
▸ PIK3CD O00329 11/20 0.46
▸ PIK3CB P42338 5/20 0.46
▸ PIK3CG P48736 5/20 0.46
▸ SERPINA2 P20848 1/20 0.46
▸ KCNH2 Q12809 1/20 0.45
▸ PRMT5 O14744 1/20 0.43
▸ WDR77 Q9BQA1 1/20 0.43
▸ TDP2 O95551 1/20 0.43
▸ CHEK1 O14757 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ CSF1R P07333 1/20 0.42
▸ MET P08581 1/20 0.42
▸ PIK3R1 P27986 1/20 0.42
▸ LTK P29376 1/20 0.42

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
SCHEMBL21513255 1.00 MTOR (0.49) MTORPIK3CAPIK3C2APIK3C2BPRKDC
SCHEMBL29968928 0.92 NPC1 (0.45) MTORPIK3CAPIK3C2APIK3C2BPRKDC
SCHEMBL21513256 0.92 NPC1 (0.45) MTORPIK3CAPIK3C2APIK3C2BPRKDC
SCHEMBL21513240 0.88 PRKDC (0.45) MTORPIK3CAPIK3C2APIK3C2BPRKDC
SCHEMBL21513499 0.84 PRKDC (0.45) MTORPIK3CAPIK3C2APIK3C2BPRKDC
SCHEMBL29968542 0.84 PRKDC (0.45) MTORPIK3CAPIK3C2APIK3C2BPRKDC
SCHEMBL29969564 0.84 ATM (0.47) MTORPIK3CAPRKDCATMPIK3CD
SCHEMBL29969221 0.84 ATM (0.47) MTORPIK3CAPRKDCATMPIK3CD
SCHEMBL26131176 0.84 ATM (0.47) MTORPIK3CAPRKDCATMPIK3CD
SCHEMBL21513498 0.82 ATM (0.46) MTORPIK3CAPRKDCATMPIK3CD

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 MTOR 660/4885PIK3CA 480/4885PIK3C2A 1219/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 MTOR 660/4885PIK3CA 480/4885PIK3C2A 1219/4885

“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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