SCHEMBL20533905

SCHEMBL20533905

Cc1nn2c(N(Cc3cccc(S(C)(=O)=O)c3)C(=O)OC(C)(C)C)cc(Cl)nc2c1Br

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PI4KB Q9UBF8 5/20 0.33
F2 P00734 4/20 0.33
SLC16A3 O15427 1/20 0.33
SLC16A1 P53985 1/20 0.33
MCTS1 Q9ULC4 1/20 0.33
NR1H2 P55055 3/20 0.33
NR1H3 Q13133 2/20 0.33
STAT5B P51692 1/20 0.32
PPARG P37231 1/20 0.32
MCL1 Q07820 1/20 0.32
CCR1 P32246 1/20 0.32
HTR2C P28335 1/20 0.31
SLC6A4 P31645 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
SCHEMBL20533930 0.83 SMN1; SMN2 (0.39) NR1H2NR1H3
SCHEMBL20533917 0.76 APOBEC3A (0.39)
SCHEMBL16946634 0.74 GRM2 (0.36) MCL1
SCHEMBL21189604 0.74 PDK1 (0.35) F2MCL1HTR2CSLC6A4
SCHEMBL30391724 0.73 PDK1 (0.35) F2MCL1
SCHEMBL21189605 0.73 PDK1 (0.35) F2MCL1
SCHEMBL20533923 0.72 PI4KB (0.54) PI4KB
SCHEMBL20533931 0.72 RORC (0.37)
SCHEMBL21189738 0.72 PDK1 (0.34) MCL1
SCHEMBL30392009 0.72 PDK1 (0.34) MCL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors UCB BIOPHARMA SPRL (BE) 2018-10-18 US 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-20180298009-A1 Fused Pyrazole Derivatives As Kinase Inhibitors PI4KA, PI4K2B, PI4KB PI4KB 3/4885F2 3024/4885SLC16A3 4538/4885

“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.