SCHEMBL29969817

SCHEMBL29969817

COc1cc(Br)cnc1OCCCN(C)C

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 1/20 0.47
TDP1 Q9NUW8 2/20 0.41
HRH3 Q9Y5N1 3/20 0.41
HTR2A P28223 1/20 0.39
FYN P06241 1/20 0.38
HTR7 P34969 1/20 0.37
RET P07949 1/20 0.37
KIF5B P33176 1/20 0.37
KDR P35968 1/20 0.37
ETV6 P41212 1/20 0.37
KDM4E B2RXH2 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TOP2A P11388 1/20 0.37
LMNA P02545 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
SCHEMBL21513351 1.00 CYP1A2 (0.47) CYP1A2CYP2D6CYP2C19TDP1HRH3
SCHEMBL30866911 0.84 CYP1A2 (0.43) CYP1A2CYP2D6CYP2C19TDP1HRH3
SCHEMBL21513134 0.84 CYP1A2 (0.43) CYP1A2CYP2D6CYP2C19TDP1HRH3
SCHEMBL21513348 0.81 KDM4E (0.48) CYP1A2CYP2D6CYP2C19TDP1HRH3
SCHEMBL29969562 0.81 KDM4E (0.48) CYP1A2CYP2D6CYP2C19TDP1HRH3
SCHEMBL611785 0.81 PIK3CA (0.37) TDP1KDRALDH1A1
SCHEMBL188553 0.81 ALDH1A1 (0.39) ALDH1A1MEN1KMT2A
SCHEMBL21512638 0.80 KDM4E (0.46) CYP1A2CYP2D6CYP2C19TDP1HRH3
SCHEMBL21512755 0.80 HRH3 (0.42) CYP1A2CYP2D6CYP2C19HRH3KDM4E
SCHEMBL30866883 0.80 KDM4E (0.46) CYP1A2CYP2D6CYP2C19TDP1HRH3

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 CYP1A2 3864/4885CYP2D6 3524/4885CYP2C19 3574/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 CYP1A2 3864/4885CYP2D6 3524/4885CYP2C19 3574/4885

“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.