SCHEMBL29969142

SCHEMBL29969142

CN(C)CCCOc1ncc(Br)cc1N

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2D6 P10635 2/20 0.41
CYP2C19 P33261 1/20 0.41
TLR8 Q9NR97 1/20 0.39
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
TOP2A P11388 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.37
MAPT P10636 1/20 0.36

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
SCHEMBL21512755 1.00 HRH3 (0.42) HRH3CYP1A2CYP2D6CYP2C19TLR8
SCHEMBL21512599 0.95 ALDH1A1 (0.43) HRH3CYP1A2CYP2D6CYP2C19TLR8
SCHEMBL21513236 0.84 SIGMAR1 (0.34) HRH3TLR8KMT2AMAPT
SCHEMBL29969301 0.84 SIGMAR1 (0.34) HRH3TLR8KMT2AMAPT
SCHEMBL17677079 0.84 HRH3 (0.41) HRH3CYP1A2CYP2D6CYP2C19TLR8
SCHEMBL21513348 0.83 KDM4E (0.48) HRH3CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL29969562 0.83 KDM4E (0.48) HRH3CYP1A2CYP2D6CYP2C19KDM4E
SCHEMBL25997039 0.83 HRH3 (0.43) HRH3CYP1A2CYP2D6CYP2C19TLR8
SCHEMBL21513728 0.82 HRH3 (0.40) HRH3CYP1A2CYP2D6CYP2C19TLR8
SCHEMBL30866883 0.81 KDM4E (0.46) HRH3CYP1A2CYP2D6CYP2C19KDM4E

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
CN-119954828-A Parallel ring compound and preparation and application thereof 石药集团中奇制药技术(石家庄)有限公司 2025-05-09 CN disclosed
CN-116322699-B Parallel ring compound and preparation and application thereof 石药集团中奇制药技术(石家庄)有限公司 2025-02-11 CN disclosed
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy XRAD THERAPEUTICS, INC. (US) 2025-01-07 US disclosed
CN-112469720-B Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy 艾科思莱德制药公司 2024-03-29 CN disclosed
CN-116322699-A Parallel ring compound and preparation and application thereof 石药集团中奇制药技术(石家庄)有限公司 2023-06-23 CN 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 HRH3 3780/4885CYP1A2 3864/4885CYP2D6 3524/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 HRH3 3780/4885CYP1A2 3864/4885CYP2D6 3524/4885

“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.