SCHEMBL23508253

SCHEMBL23508253

CSc1nc(NCc2nc3c(F)cccc3[nH]2)n2ncc(Br)c2n1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.36
CDK2 P24941 4/20 0.35
EGLN1 Q9GZT9 1/20 0.35
ABL1 P00519 4/20 0.33
SRC P12931 4/20 0.33
CSNK1D P48730 5/20 0.33
CSNK1E P49674 5/20 0.33
CCNA2 P20248 1/20 0.32
CCNA1 P78396 1/20 0.32
SLC40A1 Q9NP59 1/20 0.31
CDK1 P06493 1/20 0.31
CDK7 P50613 1/20 0.31
CDK9 P50750 1/20 0.31
CDK12 Q9NYV4 1/20 0.31

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
Hydrochloric Acid SCHEMBL30012905 0.99 GSK3B (0.36) GSK3BCDK2EGLN1ABL1SRC
SCHEMBL23508063 0.90 GSK3B (0.36) GSK3BCDK2ABL1SRC
SCHEMBL23508197 0.89 CDK12 (0.40) CDK2CSNK1DCSNK1ECDK1CDK7
SCHEMBL23508152 0.87 EGLN1 (0.34) CDK2EGLN1ABL1SRCCSNK1D
SCHEMBL30013417 0.87 EGLN1 (0.34) CDK2EGLN1ABL1SRCCSNK1D
SCHEMBL23497421 0.85 CSNK1D (0.35) CDK2EGLN1ABL1SRCCSNK1D
SCHEMBL30012969 0.84 PKM (0.43) GSK3B
SCHEMBL23497457 0.84 PKM (0.43) GSK3B
SCHEMBL23497710 0.83 EGLN1 (0.36) GSK3BCDK2EGLN1ABL1SRC
SCHEMBL23508366 0.81 CSNK1E (0.46) CDK2CSNK1DCSNK1ECDK12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230117034-A1 PYRAZOLOTRIAZINES BAYER AKTIENGESELLSCHAFT (DE) 2023-04-20 US 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 43/4885EGLN1 2442/4885

“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.