SCHEMBL29968657

SCHEMBL29968657

CN(C)CCCNc1ncc(Br)cc1N

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 2/20 0.40
EGFR P00533 5/20 0.40
FLT3 P36888 4/20 0.39
BRD4 O60885 1/20 0.39
ATAD2 Q6PL18 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TLR7 Q9NYK1 1/20 0.37
TOP2A P11388 1/20 0.37
IGF1R P08069 1/20 0.37

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
SCHEMBL21513742 1.00 TLR8 (0.40) TLR8EGFRFLT3BRD4ATAD2
SCHEMBL17677074 0.85 TLR8 (0.42) TLR8EGFRBRD4ATAD2ALDH1A1
SCHEMBL7885980 0.80 MAPT (0.45) EGFRALDH1A1CYP1A2CYP2D6MAPT
SCHEMBL17677073 0.77 TDP1 (0.44) TLR8EGFRBRD4ATAD2TDP1
SCHEMBL29969088 0.77 PIK3CA (0.39) TLR8EGFRFLT3BRD4ATAD2
SCHEMBL26590281 0.77 SMN1; SMN2 (0.46) EGFRFLT3BRD4ATAD2ALDH1A1
SCHEMBL21512874 0.77 PIK3CA (0.39) TLR8EGFRFLT3BRD4ATAD2
SCHEMBL29969782 0.77 SMN1; SMN2 (0.46) EGFRFLT3BRD4ATAD2ALDH1A1
SCHEMBL11227751 0.77 AURKA (0.45) EGFRBRD4ATAD2ALDH1A1CYP2D6
SCHEMBL15649492 0.76 KMT2A (0.39) ALDH1A1CYP1A2CYP2D6MAPTCYP2C9

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 TLR8 3432/4885EGFR 927/4885FLT3 875/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 TLR8 3432/4885EGFR 927/4885FLT3 875/4885

“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.