SCHEMBL29969018

SCHEMBL29969018

CN(C)CCN(C)c1ncc(Br)cc1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.39
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
EGFR P00533 2/20 0.33
TAAR1 Q96RJ0 2/20 0.31
ROCK2 O75116 1/20 0.31
NUDT1 P36639 1/20 0.30
DYRK1A Q13627 2/20 0.30
CHEK1 O14757 1/20 0.30
AURKA O14965 1/20 0.30
DAPK3 O43293 1/20 0.30
JAK2 O60674 1/20 0.30
MAP4K4 O95819 1/20 0.30
PAK4 O96013 1/20 0.30
ABL1 P00519 1/20 0.30
CSF1R P07333 1/20 0.30
RET P07949 1/20 0.30
IGF1R P08069 1/20 0.30
FGFR1 P11362 1/20 0.30
PDGFRA P16234 1/20 0.30

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
SCHEMBL21513740 1.00 HRH3 (0.39) HRH3HTTKMT2AEGFRTAAR1
SCHEMBL29968496 0.90 KMT2A (0.34) HRH3HTTKMT2AALDH1A1CYP1A2
SCHEMBL21513743 0.90 KMT2A (0.34) HRH3HTTKMT2AALDH1A1CYP1A2
SCHEMBL17677109 0.83 HRH3 (0.41) HRH3ROCK2NUDT1
SCHEMBL2713686 0.80 DYRK1A (0.33) HRH3HTTKMT2ADYRK1ACYP1A2
SCHEMBL855885 0.78 HTT (0.43) HTTKMT2ADYRK1ACHEK1AURKA
SCHEMBL29970031 0.74 ALDH1A1 (0.37) KMT2AALDH1A1CYP1A2MAPT
SCHEMBL17677098 0.73 SYK (0.34) HRH3ROCK2
SCHEMBL26590469 0.73 EGFR (0.32) EGFR
SCHEMBL21512889 0.72 PIK3CA (0.44) EGFRALDH1A1

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 HRH3 3780/4885HTT 2506/4885KMT2A 918/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 HRH3 3780/4885HTT 2506/4885KMT2A 918/4885

“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.