SCHEMBL23508341

SCHEMBL23508341

Cc1ccc2[nH]c(CNc3nc([S+](C)[O-])nc4c(Br)cnn34)nc2c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 2/20 0.33
GSK3B P49841 5/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
GAA P10253 1/20 0.31
KLK1 P06870 1/20 0.31
KLK5 Q9Y337 1/20 0.31
KMT2A Q03164 2/20 0.31
POLB P06746 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 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
SCHEMBL23508247 0.90 GSK3B (0.33) CDK2GSK3B
SCHEMBL23508346 0.90 PTGS2 (0.34) CDK2GSK3BKLK1KLK5
SCHEMBL23497790 0.88 KLK1 (0.36) CDK2GSK3BSMN1; SMN2KLK1KLK5
SCHEMBL25140202 0.86 SMN1; SMN2 (0.31) SMN1; SMN2GAAKLK1KLK5
SCHEMBL23508299 0.83 GSK3B (0.36) CDK2GSK3BSMN1; SMN2GAAKLK1
SCHEMBL23508316 0.82 CACNA1H (0.35) CDK2GSK3B
SCHEMBL23508393 0.79 CSNK1E (0.41) GSK3B
SCHEMBL23508574 0.79 CSNK1E (0.42) CDK2GSK3BNPC1RAB9A
SCHEMBL23508567 0.79 CDK12 (0.44) GSK3B
SCHEMBL23508413 0.78 CTNNB1 (0.32) CDK2GSK3B

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 CDK2 43/4885GSK3B 3545/4885SMN1; SMN2 3374/4885

“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.