SCHEMBL29969562

SCHEMBL29969562

Cc1cc(Br)cnc1OCCCN(C)C

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 4/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HRH3 Q9Y5N1 6/20 0.46
CYP2C19 P33261 1/20 0.45
TDP1 Q9NUW8 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.38
TOP2A P11388 1/20 0.38
TSHR P16473 1/20 0.38
AAK1 Q2M2I8 1/20 0.38

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
SCHEMBL21513348 1.00 KDM4E (0.48) KDM4EALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL21512638 0.83 KDM4E (0.46) KDM4EALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL30866883 0.83 KDM4E (0.46) KDM4EALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL29969142 0.83 HRH3 (0.42) KDM4EALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL21512755 0.83 HRH3 (0.42) KDM4EALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL21513351 0.81 CYP1A2 (0.47) KDM4EALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL29969817 0.81 CYP1A2 (0.47) KDM4EALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL21513728 0.80 HRH3 (0.40) KDM4EALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL21512599 0.78 ALDH1A1 (0.43) KDM4EALDH1A1CYP1A2CYP2D6MEN1
SCHEMBL1816280 0.78 TSHR (0.40) KDM4EALDH1A1CYP1A2MEN1KMT2A

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 KDM4E 1653/4885ALDH1A1 3354/4885CYP1A2 3864/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 KDM4E 1653/4885ALDH1A1 3354/4885CYP1A2 3864/4885

“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.