SCHEMBL21512596

SCHEMBL21512596

CN(C)CCCOc1ccc(Br)cc1N

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C19 P33261 1/20 0.56
ALDH1A1 P00352 4/20 0.53
KDM4E B2RXH2 4/20 0.53
LMNA P02545 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GAA P10253 2/20 0.44
HRH3 Q9Y5N1 2/20 0.43
HTR1B P28222 1/20 0.43
MAPT P10636 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
CASP1 P29466 1/20 0.42
HTT P42858 1/20 0.42
CASP7 P55210 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL15545676 0.92 HTR7 (0.51) CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E
SCHEMBL10494874 0.83 KDM4E (0.62) CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E
SCHEMBL2032233 0.82 CYP1A2 (0.67) CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E
Hydrochloric Acid SCHEMBL11226883 0.82 KDM4E (0.65) CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E
SCHEMBL16386101 0.81 CYP1A2 (0.58) CYP1A2CYP2C19ALDH1A1KDM4ELMNA
SCHEMBL20580882 0.81 CYP1A2 (0.56) CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E
SCHEMBL3927071 0.81 ALDH1A1 (0.49) CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E
SCHEMBL20612392 0.80 PRSS1 (0.45) CYP1A2CYP2C19ALDH1A1KDM4ELMNA
SCHEMBL11757285 0.79 KDM4E (0.60) CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E
SCHEMBL1988447 0.79 ROCK2 (0.55) CYP1A2CYP2D6CYP2C19ALDH1A1KDM4E

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 7 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-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
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
WO-2019201283-A1 DUAL ATM AND DNA-PK INHIBITORS FOR USE IN ANTI-TUMOR THERAPY XRAD THERAPEUTICS, INC. (US) 2019-10-24 WO 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.