SCHEMBL19626263

SCHEMBL19626263

CC(C)(O)Cn1cc(-c2cnn(COCC[Si](C)(C)C)c2)c2cc(Br)ccc21

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHUK O15111 4/20 0.36
FFAR1 O14842 1/20 0.36
DYRK1A Q13627 1/20 0.36
DGAT1 O75907 3/20 0.35
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
GSK3B P49841 4/20 0.33
QPCT Q16769 3/20 0.33
IDO1 P14902 2/20 0.32
ABL1 P00519 1/20 0.32
PDK2 Q15119 1/20 0.32
KRAS P01116 1/20 0.32
MAP4K4 O95819 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
SCHEMBL19629510 0.88 CHUK (0.36) CHUKFFAR1DYRK1AALOX5APFEN1
SCHEMBL19626269 0.87 GSK3B (0.40) CHUKDYRK1ADGAT1FEN1GSK3B
SCHEMBL19626262 0.87 DYRK1A (0.38) DYRK1ADGAT1GSK3BQPCT
SCHEMBL16608607 0.87 CHUK (0.42) CHUKFFAR1DGAT1ALOX5APFEN1
SCHEMBL19626294 0.85 CHUK (0.44) CHUKFFAR1ALOX5APFEN1
SCHEMBL19626271 0.85 DYRK1A (0.50) CHUKDYRK1ADGAT1FEN1GSK3B
SCHEMBL19626264 0.84 PDK1 (0.37) DYRK1ADGAT1GSK3B
SCHEMBL19626276 0.82 PDE4B (0.42) DYRK1ADGAT1GSK3B
SCHEMBL19626272 0.81 CHUK (0.37) CHUKDYRK1ADGAT1GSK3BQPCT
SCHEMBL16608624 0.80 CHUK (0.61) CHUK

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-9981962-B2 Pyrazole derivatives as NIK inhibitors JANSSEN PHARMACEUTICA NV (BE) 2018-05-29 US disclosed
US-20170334900-A1 NEW PYRAZOLE DERIVATIVES AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2017-11-23 US disclosed
US-20170334900-A1 NEW PYRAZOLE DERIVATIVES AS NIK INHIBITORS ARGENTA DISCOVERY 2009 LIMITED (GB) 2017-11-23 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-20170334900-A1 NEW PYRAZOLE DERIVATIVES AS NIK INHIBITORS MAP3K14, MAP3K15, MAP3K21 CHUK 32/4885FFAR1 1717/4885DYRK1A 1349/4885

“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.