SCHEMBL19786784

SCHEMBL19786784

CS(=N)(=O)c1cccc(Br)n1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.33
CDK2 P24941 1/20 0.33
KDR P35968 1/20 0.33
GRM5 P41594 1/20 0.32
HTR7 P34969 2/20 0.32
HTR1A P08908 1/20 0.32
DRD2 P14416 1/20 0.32
HTR2A P28223 1/20 0.32
LOX P28300 1/20 0.30
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30
GRIN3A Q8TCU5 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
SCHEMBL30253017 0.83 LOX (0.41) GRM5HTR7HTR1ADRD2HTR2A
SCHEMBL1404067 0.83 LOX (0.41) GRM5HTR7HTR1ADRD2HTR2A
SCHEMBL21245368 0.77 ALOX5 (0.31) GRM5HTR7HTR1ADRD2HTR2A
SCHEMBL27698215 0.75 CASR (0.37) GRM5HTR7HTR1ADRD2HTR2A
SCHEMBL30015590 0.75 CA2 (0.40)
SCHEMBL247456 0.75 CA2 (0.40)
SCHEMBL12753748 0.75 ALDH1A1 (0.44) GRM5HTR7HTR1ADRD2HTR2A
SCHEMBL3384804 0.74 HTR7 (0.38) HTR7HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL28231028 0.73 CASR (0.36) GRM5
SCHEMBL21245333 0.72 WEE1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10766902-B2 Wee-1 inhibiting pyrazolopyrimidinone compounds ALMAC DISCOVERY LIMITED (GB) 2020-09-08 US disclosed
US-20190248795-A1 WEE-1 INHIBITING PYRAZOLOPYRIMIDINONE COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2019-08-15 US disclosed
WO-2018011569-A1 WEE-1 INHIBITING PYRAZOLOPYRIMIDINONE COMPOUNDS ALMAC DISCOVERY LIMITED (GB) 2018-01-18 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 (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-20190248795-A1 WEE-1 INHIBITING PYRAZOLOPYRIMIDINONE COMPOUNDS WEE1, WEE2, PPME1 CDK1 16/4885CDK2 59/4885KDR 2032/4885
US-10766902-B2 Wee-1 inhibiting pyrazolopyrimidinone compounds WEE1, WEE2, PPME1 CDK1 17/4885CDK2 64/4885KDR 1755/4885

“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.