SCHEMBL29969088

SCHEMBL29969088

CN(C)CCCNc1ncc(Br)cc1NS(C)(=O)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.39
BRD4 O60885 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
ALDH1A1 P00352 2/20 0.37
PKM P14618 1/20 0.37
EGFR P00533 3/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
FLT3 P36888 5/20 0.36
SLC22A12 Q96S37 1/20 0.36
FERMT2 Q96AC1 1/20 0.35
HTR6 P50406 1/20 0.35
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TLR8 Q9NR97 1/20 0.34
KDM4E B2RXH2 1/20 0.34

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
SCHEMBL21512874 1.00 PIK3CA (0.39) PIK3CABRD4ATAD2ALDH1A1PKM
SCHEMBL29969077 0.80 PIK3CA (0.41) PIK3CAALDH1A1SLC22A12CYP1A2CYP2D6
SCHEMBL26135470 0.80 PIK3CA (0.39) PIK3CAALDH1A1SLC22A12KDM4E
SCHEMBL29969456 0.80 PIK3CA (0.39) PIK3CAALDH1A1SLC22A12KDM4E
SCHEMBL21513770 0.80 PIK3CA (0.41) PIK3CAALDH1A1SLC22A12CYP1A2CYP2D6
SCHEMBL29968657 0.77 TLR8 (0.40) BRD4ATAD2ALDH1A1EGFRFLT3
SCHEMBL21513742 0.77 TLR8 (0.40) BRD4ATAD2ALDH1A1EGFRFLT3
SCHEMBL21512889 0.76 PIK3CA (0.44) PIK3CAALDH1A1EGFRSLC22A12
SCHEMBL29969628 0.76 PIK3CA (0.44) PIK3CAALDH1A1EGFRSLC22A12
SCHEMBL858032 0.76 SLC22A12 (0.43) PIK3CAALDH1A1SMN1; SMN2SLC22A12CYP1A2

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 PIK3CA 480/4885BRD4 1523/4885ATAD2 727/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 PIK3CA 480/4885BRD4 1523/4885ATAD2 727/4885

“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.