SCHEMBL29969934

SCHEMBL29969934

CN1CCC(N2CC3(C2)C(=O)N(C)c2cnc4cc(F)c(Br)cc4c23)CC1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ IRAK4 Q9NWZ3 1/20 0.37
▸ PRKDC P78527 1/20 0.36
▸ ACVR1 Q04771 7/20 0.33
▸ DDR1 Q08345 1/20 0.32
▸ OPRM1 P35372 2/20 0.32
▸ OPRK1 P41145 2/20 0.32
▸ OPRL1 P41146 2/20 0.32
▸ TNKS O95271 1/20 0.32
▸ TNKS2 Q9H2K2 1/20 0.32
▸ BMPR1B O00238 1/20 0.31
▸ BMPR1A P36894 1/20 0.31
▸ ACVR1B P36896 1/20 0.31
▸ TGFBR1 P36897 1/20 0.31
▸ MELK Q14680 1/20 0.31
▸ PLK1 P53350 2/20 0.31
▸ JAK1 P23458 2/20 0.31
▸ SRC P12931 1/20 0.30
▸ BTK Q06187 1/20 0.30
▸ 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
SCHEMBL26129474 1.00 IRAK4 (0.37) IRAK4PRKDCACVR1DDR1OPRM1
SCHEMBL21513694 0.94 IRAK4 (0.39) IRAK4PRKDCOPRM1OPRK1OPRL1
SCHEMBL21513681 0.92 PRKDC (0.39) IRAK4PRKDCTNKSTNKS2CHRM1
SCHEMBL29969709 0.92 PRKDC (0.39) IRAK4PRKDCOPRM1OPRK1OPRL1
SCHEMBL29969799 0.92 PRKDC (0.39) IRAK4PRKDCTNKSTNKS2CHRM1
SCHEMBL21513687 0.92 PRKDC (0.39) IRAK4PRKDCOPRM1OPRK1OPRL1
SCHEMBL21513688 0.91 PRKDC (0.38) IRAK4PRKDCOPRM1OPRK1OPRL1
SCHEMBL29969283 0.91 PRKDC (0.38) IRAK4PRKDCOPRM1OPRK1OPRL1
SCHEMBL29969181 0.90 PRKDC (0.34) IRAK4PRKDCACVR1
SCHEMBL26129867 0.90 PRKDC (0.34) IRAK4PRKDCCHRM1

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 IRAK4 1142/4885PRKDC 57/4885ACVR1 1884/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 IRAK4 1142/4885PRKDC 57/4885ACVR1 1884/4885

“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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