SCHEMBL23508316

SCHEMBL23508316

Cc1cccc2[nH]c(CNc3nc([S+](C)[O-])nc4c(Br)cnn34)nc12

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.35
GSK3B P49841 7/20 0.33
ALKBH3 Q96Q83 1/20 0.31
AURKA O14965 1/20 0.31
CDK2 P24941 2/20 0.30
HRH4 Q9H3N8 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
SCHEMBL23508063 0.84 GSK3B (0.36) CACNA1HGSK3BAURKACDK2HRH4
SCHEMBL23508341 0.82 CDK2 (0.33) GSK3BCDK2
SCHEMBL30012211 0.82 CACNA1H (0.34) CACNA1HGSK3BAURKA
SCHEMBL23508422 0.80 CSNK1E (0.42) CACNA1HCDK2HRH4
SCHEMBL23508346 0.80 PTGS2 (0.34) GSK3BCDK2HRH4
SCHEMBL23508247 0.80 GSK3B (0.33) GSK3BCDK2
SCHEMBL23497496 0.79 CSNK1E (0.46)
SCHEMBL29788804 0.79 CSNK1E (0.46)
SCHEMBL23497790 0.78 KLK1 (0.36) GSK3BAURKACDK2
SCHEMBL23508253 0.74 GSK3B (0.36) GSK3BCDK2

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-20230117034-A1 PYRAZOLOTRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-20 US disclosed
EP-4073072-A1 PYRAZOLOTRIAZINES Bayer Aktiengesellschaft (DE) 2022-10-19 EP disclosed
CN-115023427-A Pyrazolotriazines 拜耳公司 2022-09-06 CN 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 CACNA1H 1874/4885GSK3B 3545/4885ALKBH3 4859/4885

“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.