SCHEMBL29969209

SCHEMBL29969209

O=S(=O)(c1ccccc1)N(c1ccccc1)c1cc(Br)cnc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 2/20 0.44
PKM P14618 1/20 0.43
ESR1 P03372 1/20 0.41
ALPL P05186 1/20 0.39
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
ENPP3 O14638 1/20 0.34
ENPP1 P22413 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
SCHEMBL1558035 0.85 CYP3A4 (0.48) PIK3CDALPLALDH1A1KMT2AMEN1
SCHEMBL12274035 0.82 PIK3CD (0.62) PIK3CDKMT2AMEN1MAPK1
SCHEMBL31029767 0.81 PKM (0.40) PKMESR1ALDH1A1KMT2APIK3CG
SCHEMBL770120 0.71 PSEN1 (0.39) PIK3CDALPLALDH1A1KMT2APIK3CA
SCHEMBL812682 0.70 PKM (0.79) PKMESR1ALDH1A1KMT2ASMN1; SMN2
SCHEMBL926027 0.69 PSEN1 (0.52) PIK3CDKMT2APIK3CASMN1; SMN2L3MBTL1
SCHEMBL1960956 0.68 KMT2A (0.45) PIK3CDALPLALDH1A1KMT2AMEN1
SCHEMBL731743 0.68 PIK3CD (0.70) PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL117014 0.67 ALDH1A1 (0.37) PIK3CDALPLALDH1A1KMT2AMEN1
SCHEMBL856141 0.66 PIK3CA (0.41) PIK3CDALPLALDH1A1KMT2AMEN1

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 PIK3CD 947/4885PKM 239/4885ESR1 3711/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 PIK3CD 947/4885PKM 239/4885ESR1 3711/4885

“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.