SCHEMBL25949191

SCHEMBL25949191

Cc1ncc(Br)c(NCCNC(=O)OC(C)(C)C)n1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.50
STK17A Q9UEE5 1/20 0.50
LATS1 O95835 1/20 0.47
BRD4 O60885 9/20 0.46
BCHE P06276 1/20 0.45
SUV39H2 Q9H5I1 2/20 0.41
MALT1 Q9UDY8 1/20 0.41
CA12 O43570 2/20 0.39
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
CA9 Q16790 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
KMT2A Q03164 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL16088346 0.87 STK17B (0.52) STK17BSTK17ALATS1BRD4BCHE
SCHEMBL2723366 0.86 STK17B (0.67) STK17BSTK17ALATS1BRD4BCHE
SCHEMBL20154907 0.86 STK17B (0.49) STK17BSTK17ALATS1BRD4BCHE
SCHEMBL3868126 0.80 STK17B (0.79) STK17BSTK17ABRD4CA12CA1
SCHEMBL25949451 0.79 STK17B (0.37) STK17BSTK17ABRD4CA12CA1
SCHEMBL25949412 0.78 AAK1 (0.41) STK17BSTK17ABRD4MEN1KMT2A
SCHEMBL21388239 0.77 P2RX7 (0.39) STK17BSTK17A
SCHEMBL18637987 0.76 P2RX7 (0.37) STK17BSTK17A
SCHEMBL25949433 0.75 CDK1 (0.35) STK17BSTK17ABRD4CKS1BSKP1
SCHEMBL21388209 0.75 STK17B (0.41) STK17BSTK17ALATS1BRD4BCHE

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-20230248733-A1 HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS G1 THERAPEUTICS, INC. (US) 2023-08-10 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-20230248733-A1 HIGHLY ACTIVE ANTI-NEOPLASTIC AND ANTI-PROLIFERATIVE AGENTS MKI67, PCNA, HRAS STK17B 1802/4885STK17A 1642/4885LATS1 1257/4885

“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.