SCHEMBL21410000

SCHEMBL21410000

CS(=O)(=O)c1cncc(-c2nc(S(C)(=O)=O)ncc2C(F)(F)F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 6/20 0.38
PIK3CD O00329 2/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CB P42338 2/20 0.38
PIK3C3 Q8NEB9 1/20 0.38
PI4KA P42356 1/20 0.38
PI4KB Q9UBF8 1/20 0.38
PTGS2 P35354 3/20 0.37
GPR55 Q9Y2T6 2/20 0.37
PTGS1 P23219 1/20 0.37
NR1H2 P55055 4/20 0.37
NR1H3 Q13133 3/20 0.37
LMNA P02545 2/20 0.36
SDHB P21912 2/20 0.36
STAT3 P40763 2/20 0.36
STAT1 P42224 2/20 0.36
RAB9A P51151 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
TLR9 Q9NR96 2/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL30368827 1.00 PIK3CG (0.38) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL22999073 0.84 RXFP1 (0.38) PIK3CGPIK3CDPIK3CAPIK3CBPIK3C3
SCHEMBL14643154 0.78 SDHB (0.49) PTGS2PTGS1NR1H2NR1H3LMNA
SCHEMBL25159546 0.77 CCNE1 (0.55) PTGS2PTGS1
SCHEMBL29699125 0.74 SDHB (0.34) PTGS2PTGS1LMNASDHBSTAT3
SCHEMBL24087394 0.72 SDHB (0.39) NR1H2NR1H3LMNASDHBSTAT3
SCHEMBL30810371 0.70 CCNE1 (0.59) PIK3CGPIK3CDPIK3CB
SCHEMBL29698972 0.69 NPY5R (0.40) PTGS2PTGS1NR1H2NR1H3LMNA
SCHEMBL29141591 0.69 TLR9 (0.39) NR1H2NR1H3LMNASDHBSTAT3
SCHEMBL30291160 0.68 KDM5B (0.42)

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12435063-B2 Nitrogen containing heterocycles as CDK12 inhibitors TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2025-10-07 US disclosed
EP-3782986-B1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2024-07-10 EP disclosed
CN-111918863-B Heterocyclic compounds 武田药品工业株式会社 2024-01-05 CN disclosed
US-20230117295-A1 NITROGEN CONTAINING HETEROCYCLES AS CDK12 INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-04-20 US disclosed
US-11584737-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2023-02-21 US disclosed
US-20210363130-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2021-11-25 US disclosed
EP-3782986-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2021-02-24 EP disclosed
CN-111918863-A Heterocyclic compounds 武田药品工业株式会社 2020-11-10 CN disclosed
WO-2019189555-A1 HETEROCYCLIC COMPOUND 武田薬品工業株式会社 2019-10-03 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 (4 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-20230117295-A1 NITROGEN CONTAINING HETEROCYCLES AS CDK12 INHIBITORS CDK1, CDK12, CDK15 PIK3CG 1110/4885PIK3CD 974/4885PIK3CA 777/4885
US-11584737-B2 Heterocyclic compound CDK12, CDK1, CDK15 PIK3CG 866/4885PIK3CD 692/4885PIK3CA 529/4885
US-20210363130-A1 HETEROCYCLIC COMPOUND CDK12, CDK1, CDK15 PIK3CG 866/4885PIK3CD 692/4885PIK3CA 529/4885
US-12435063-B2 Nitrogen containing heterocycles as CDK12 inhibitors CDK1, CDK12, CDK15 PIK3CG 1110/4885PIK3CD 974/4885PIK3CA 777/4885

“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.