SCHEMBL23508209

SCHEMBL23508209

Cc1ccnc2[nH]c(CNc3nc(S(C)(=O)=O)nc4c(C(C)C)cnn34)nc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.38
CDK9 P50750 17/20 0.38
CDK5 Q00535 4/20 0.38
CDK5R1 Q15078 4/20 0.38
CCNT1 O60563 2/20 0.38
CCNA2 P20248 2/20 0.38
CCNE1 P24864 1/20 0.38
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
GSK3B P49841 1/20 0.35
DYRK3 O43781 1/20 0.34
CLK1 P49759 1/20 0.34
CLK2 P49760 1/20 0.34
CLK3 P49761 1/20 0.34
DYRK1A Q13627 1/20 0.34
DYRK2 Q92630 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34

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
SCHEMBL23497779 0.87 GSK3B (0.35) CDK2GSK3B
SCHEMBL30013054 0.84 CDK2 (0.39) CDK2CDK9CDK5CDK5R1CCNT1
SCHEMBL23508048 0.84 CDK2 (0.39) CDK2CDK9CDK5CDK5R1CCNT1
SCHEMBL23508159 0.80 CDK9 (0.42) CDK2CDK9CCNE1
SCHEMBL30013789 0.80 CDK9 (0.42) CDK2CDK9CCNE1
SCHEMBL30013666 0.79 CDK2 (0.40) CDK2CDK9CDK7
SCHEMBL23497822 0.79 CDK2 (0.40) CDK2CDK9CDK7
SCHEMBL30013515 0.79 KDM4E (0.43) CDK2CDK9CDK5CDK5R1CCNT1
SCHEMBL23497413 0.79 KDM4E (0.43) CDK2CDK9CDK5CDK5R1CCNT1
SCHEMBL23497547 0.78 CDK2 (0.42) CDK2CDK9CDK5CDK5R1CCNT1

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 CDK2 43/4885CDK9 889/4885CDK5 262/4885

“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.