SCHEMBL29969301

SCHEMBL29969301

COCCN(C)CCCOc1ncc(Br)cc1N

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.34
TLR8 Q9NR97 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
CNR2 P34972 1/20 0.33
KDR P35968 1/20 0.32
MAOA P21397 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 1/20 0.30
CASP1 P29466 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
SCHEMBL21513236 1.00 SIGMAR1 (0.34) SIGMAR1TLR8TLR7CNR2KDR
SCHEMBL21512755 0.84 HRH3 (0.42) TLR8HRH3KMT2AMAPT
SCHEMBL29969142 0.84 HRH3 (0.42) TLR8HRH3KMT2AMAPT
SCHEMBL21512599 0.80 ALDH1A1 (0.43) TLR8HRH3KMT2AMAPT
SCHEMBL26132118 0.79 VCAM1 (0.38) CNR2KDR
SCHEMBL29970318 0.79 VCAM1 (0.38) CNR2KDR
SCHEMBL29968647 0.77 MAOB (0.40) CNR2
SCHEMBL26131398 0.77 MAOB (0.40) CNR2
SCHEMBL2713686 0.75 DYRK1A (0.33) TLR7HRH3HTTKMT2A
SCHEMBL29968959 0.73 ALDH1A1 (0.39) CNR2KMT2AMAPT

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 4 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
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 SIGMAR1 4746/4885TLR8 3432/4885TLR7 3136/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 SIGMAR1 4746/4885TLR8 3432/4885TLR7 3136/4885

“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.