SCHEMBL25140271

SCHEMBL25140271

CS(=O)(=O)c1nc(NCCO)n2ncc(Br)c2n1

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.35
SRC P12931 2/20 0.35
GSK3B P49841 9/20 0.34
PCSK9 Q8NBP7 1/20 0.33
CSNK2A1 P68400 1/20 0.32
CDK2 P24941 3/20 0.32
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CCNE1 P24864 1/20 0.30

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
SCHEMBL23508113 0.82 GSK3B (0.34) ABL1SRCGSK3BCSNK2A1CDK2
SCHEMBL23497872 0.82 CA12 (0.37) ABL1SRCGSK3BPCSK9CSNK2A1
SCHEMBL23497703 0.77 GSK3B (0.38) ABL1SRCGSK3BPCSK9CSNK2A1
SCHEMBL23508105 0.76 CDK2 (0.36) GSK3BCDK2
SCHEMBL23497830 0.75 HSD17B10 (0.46) KDM4EALDH1A1
SCHEMBL23508128 0.75 MEN1 (0.34) GSK3BCDK2KDM4EALDH1A1CCNE1
SCHEMBL23508102 0.74
SCHEMBL23497487 0.74 CDK2 (0.38) ABL1SRCGSK3BCDK2CCNE1
SCHEMBL23508238 0.74 PDE10A (0.43) ABL1SRCGSK3BCDK2CCNE1
SCHEMBL30128675 0.73 CDK2 (0.38) ABL1GSK3BCDK2KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117034-A1 PYRAZOLOTRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-20 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 (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 ABL1 2285/4885SRC 4260/4885GSK3B 3545/4885

“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.