SCHEMBL23508299

SCHEMBL23508299

CSc1nc(NCc2nc3cc(C)ccc3[nH]2)n2ncc(Br)c2n1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.36
CDK2 P24941 3/20 0.34
KLK1 P06870 1/20 0.32
KLK5 Q9Y337 1/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 3/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 1/20 0.30
PKM P14618 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
SCHEMBL23508057 0.90 GSK3B (0.36) GSK3BCDK2
SCHEMBL23508064 0.90 GSK3B (0.36) GSK3BCDK2KLK1KLK5
Hydrochloric Acid SCHEMBL23497853 0.89 GSK3B (0.35) GSK3BCDK2PKM
Hydrochloric Acid SCHEMBL23497851 0.88 GSK3B (0.36) GSK3BCDK2
SCHEMBL23508086 0.88 KLK1 (0.37) GSK3BCDK2KLK1KLK5KMT2A
SCHEMBL23497457 0.87 PKM (0.43) GSK3BKLK1KLK5POLBSMN1; SMN2
SCHEMBL30012969 0.87 PKM (0.43) GSK3BKLK1KLK5POLBSMN1; SMN2
Hydrochloric Acid SCHEMBL30012852 0.87 KLK1 (0.36) GSK3BCDK2KLK1KLK5KMT2A
SCHEMBL23497504 0.85 PRCP (0.31) KLK1KLK5SMN1; SMN2GAA
SCHEMBL30013276 0.85 PRCP (0.31) KLK1KLK5SMN1; SMN2GAA

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-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

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 GSK3B 3545/4885CDK2 43/4885KLK1 833/4885

“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.