SCHEMBL19629575

SCHEMBL19629575

Cc1ccc(S(=O)(=O)n2cc(-c3cnn(COCCS(C)(C)C)c3)c3cc(C#CC(C)(C)O)ccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.36
CHUK O15111 8/20 0.35
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KDM1A O60341 2/20 0.33
SLC1A3 P43003 2/20 0.33
SLC1A2 P43004 2/20 0.33
SLC1A1 P43005 2/20 0.33
HTR6 P50406 1/20 0.32
BRD4 O60885 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31
KCNH2 Q12809 1/20 0.31
MAP3K14 Q99558 3/20 0.31
ALOX5 P09917 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
SCHEMBL19626285 0.91 L3MBTL1 (0.36) L3MBTL1CHUKPIM1PIM2KDM1A
SCHEMBL20193233 0.89 CHUK (0.49) CHUKMAP3K14
SCHEMBL19629483 0.85 CHUK (0.40) CHUKMAP3K14
SCHEMBL19629428 0.84 CHUK (0.43) CHUKMAP3K14
SCHEMBL19629478 0.84 CHUK (0.43) CHUKMAP3K14
SCHEMBL19629492 0.83 CHUK (0.45) CHUKMAP3K14
SCHEMBL19629512 0.83 L3MBTL1 (0.41) L3MBTL1PIM1PIM2HTR6BRD4
SCHEMBL19629491 0.83 CHUK (0.47) CHUKMAP3K14
SCHEMBL19629515 0.83 CHUK (0.42) CHUKMAP3K14
SCHEMBL16608290 0.80 CHUK (0.47) CHUKMAP3K14

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 L3MBTL1 3651/4885CHUK 32/4885PIM1 669/4885

“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.