SCHEMBL19626255

SCHEMBL19626255

CCn1cc(-c2cnn(COCC[Si](C)(C)C)c2)c2cc(Br)c(F)cc21

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 3/20 0.36
FEN1 P39748 2/20 0.33
KCNH2 Q12809 2/20 0.33
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
PTGES O14684 1/20 0.30
ALOX5AP P20292 1/20 0.30

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
SCHEMBL16608644 0.84 DGAT1 (0.41) DGAT1
SCHEMBL19626262 0.84 DYRK1A (0.38) DGAT1
SCHEMBL19626239 0.82 DGAT1 (0.36) DGAT1FEN1KCNH2
SCHEMBL19626258 0.81 DGAT1 (0.34) DGAT1
SCHEMBL19626299 0.81 MAP3K14 (0.47)
SCHEMBL21052340 0.77 DGAT1 (0.43) DGAT1FEN1
SCHEMBL30692870 0.77 DGAT1 (0.43) DGAT1FEN1
SCHEMBL16608601 0.77 DGAT1 (0.43) DGAT1FEN1ALOX5AP
SCHEMBL19626240 0.77 PDE3B (0.40) DGAT1PDE3BPDE3A
SCHEMBL16608588 0.74 DGAT1 (0.40) DGAT1FEN1

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-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

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 DGAT1 2063/4885FEN1 3122/4885KCNH2 3509/4885

“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.