SCHEMBL21513694

SCHEMBL21513694

CN1C(=O)C2(CN(C3CC3)C2)c2c1cnc1cc(F)c(Br)cc21

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 2/20 0.39
▸ PRKDC P78527 2/20 0.38
▸ OPRM1 P35372 2/20 0.31
▸ OPRK1 P41145 2/20 0.31
▸ OPRL1 P41146 2/20 0.31
▸ ATM Q13315 1/20 0.31
▸ TNKS O95271 1/20 0.31
▸ TNKS2 Q9H2K2 1/20 0.31
▸ CHRM1 P11229 1/20 0.30

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
SCHEMBL21513687 0.96 PRKDC (0.39) IRAK4PRKDCOPRM1OPRK1OPRL1
SCHEMBL21513681 0.96 PRKDC (0.39) IRAK4PRKDCATMTNKSTNKS2
SCHEMBL29969709 0.96 PRKDC (0.39) IRAK4PRKDCOPRM1OPRK1OPRL1
SCHEMBL29969799 0.96 PRKDC (0.39) IRAK4PRKDCATMTNKSTNKS2
SCHEMBL29968693 0.95 IRAK4 (0.36) IRAK4PRKDC
SCHEMBL26127387 0.95 IRAK4 (0.36) IRAK4PRKDC
SCHEMBL26131822 0.95 IRAK4 (0.36) IRAK4PRKDC
SCHEMBL21513688 0.95 PRKDC (0.38) IRAK4PRKDCOPRM1OPRK1OPRL1
SCHEMBL29969283 0.95 PRKDC (0.38) IRAK4PRKDCOPRM1OPRK1OPRL1
SCHEMBL29969934 0.94 IRAK4 (0.37) IRAK4PRKDCOPRM1OPRK1OPRL1

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 6 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
EP-4327877-A2 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRad Therapeutics, Inc. (US) 2024-02-28 — — EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 — — EP disclosed
EP-3784671-B1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS INC (US) 2023-10-11 — — EP 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
WO-2019201283-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS, INC. (US) 2019-10-24 — — WO 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 IRAK4 1142/4885PRKDC 57/4885OPRM1 4580/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 IRAK4 1142/4885PRKDC 57/4885OPRM1 4580/4885

“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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