SCHEMBL29969628

SCHEMBL29969628

CN(C)CCN(C)c1ncc(Br)cc1NS(C)(=O)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 5/20 0.44
SLC22A12 Q96S37 1/20 0.37
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
GAA P10253 1/20 0.34
PIK3CD O00329 2/20 0.33
PIK3CB P42338 2/20 0.33
PIK3CG P48736 2/20 0.33
EGFR P00533 2/20 0.31
CYP19A1 P11511 1/20 0.31
NR3C1 P04150 1/20 0.31
ALDH1A1 P00352 2/20 0.31
EDNRA P25101 1/20 0.31
NPC1 O15118 1/20 0.31

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
SCHEMBL21512889 1.00 PIK3CA (0.44) PIK3CASLC22A12PTGS1PTGS2GAA
SCHEMBL26135470 0.92 PIK3CA (0.39) PIK3CASLC22A12PTGS1PTGS2GAA
SCHEMBL29969456 0.92 PIK3CA (0.39) PIK3CASLC22A12PTGS1PTGS2GAA
SCHEMBL858551 0.83 SLC22A12 (0.42) PIK3CASLC22A12PTGS1PTGS2PIK3CD
SCHEMBL26590469 0.80 EGFR (0.32) PIK3CAEGFR
SCHEMBL21512874 0.76 PIK3CA (0.39) PIK3CASLC22A12EGFRALDH1A1
SCHEMBL21513770 0.76 PIK3CA (0.41) PIK3CASLC22A12PTGS1PTGS2GAA
SCHEMBL29969077 0.76 PIK3CA (0.41) PIK3CASLC22A12PTGS1PTGS2GAA
SCHEMBL29969088 0.76 PIK3CA (0.39) PIK3CASLC22A12EGFRALDH1A1
SCHEMBL21513218 0.74 SLC22A12 (0.34) PIK3CASLC22A12PTGS1PTGS2GAA

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 PIK3CA 480/4885SLC22A12 3581/4885PTGS1 3198/4885
US-12187742-B2 Dual ATM and DNA-PK inhibitors for use in anti-tumor therapy ATM, CHEK2, CHEK1 PIK3CA 480/4885SLC22A12 3581/4885PTGS1 3198/4885

“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.