SCHEMBL23497487

SCHEMBL23497487

CS(=O)(=O)c1nc(NCc2nnc(-c3ccccc3)[nH]2)n2ncc(Br)c2n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 3/20 0.38
GSK3B P49841 9/20 0.36
ABL1 P00519 2/20 0.35
SRC P12931 2/20 0.35
CCNE1 P24864 1/20 0.35
CHEK1 O14757 1/20 0.35
CCNA2 P20248 1/20 0.35
CCNA1 P78396 1/20 0.35
MAPK1 P28482 1/20 0.33
KMT2A Q03164 1/20 0.33
TLR7 Q9NYK1 1/20 0.33
NPBWR1 P48145 1/20 0.32
PTGS2 P35354 1/20 0.32
SCD O00767 1/20 0.31
BPTF Q12830 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
SCHEMBL30012929 0.89 SCD (0.35) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL23497503 0.89 SCD (0.35) CDK2GSK3BCCNE1CCNA2CCNA1
SCHEMBL23508052 0.87 CDK2 (0.42) CDK2CCNE1CCNA2
SCHEMBL23508238 0.86 PDE10A (0.43) CDK2GSK3BABL1SRCCCNE1
SCHEMBL23508226 0.85 ABL1 (0.33) CDK2ABL1SRCCCNE1CCNA2
SCHEMBL23497595 0.82 CDK2 (0.39) CDK2GSK3BABL1SRCCCNE1
SCHEMBL23497830 0.82 HSD17B10 (0.46) MAPK1KMT2A
SCHEMBL23497583 0.79 CSNK2A1 (0.42) CDK2GSK3BCCNE1CHEK1CCNA2
SCHEMBL23497534 0.78 CSNK2A1 (0.41) CDK2GSK3BCCNE1CHEK1CCNA2
SCHEMBL23508046 0.78 GSK3B (0.37) CDK2GSK3BCCNE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117034-A1 PYRAZOLOTRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-20 US disclosed
US-20230117034-A1 PYRAZOLOTRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-20 US disclosed
EP-4073072-A1 PYRAZOLOTRIAZINES Bayer Aktiengesellschaft (DE) 2022-10-19 EP disclosed
WO-2021116178-A1 PYRAZOLOTRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 2021-06-17 WO disclosed
WO-2021116178-A1 PYRAZOLOTRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 2021-06-17 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 (1 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-20230117034-A1 PYRAZOLOTRIAZINES BRCA1, TPX2, CCND2 CDK2 43/4885GSK3B 3545/4885ABL1 2285/4885

“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.