SCHEMBL19629488

SCHEMBL19629488

CCn1cc(-c2cn(COCCS(C)(C)C)nc2C)c2cc(C#CC(C)(C)O)ccc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHUK O15111 11/20 0.42
MAP3K14 Q99558 5/20 0.33
TTBK1 Q5TCY1 1/20 0.33
CA12 O43570 2/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
CA9 Q16790 2/20 0.33
NR3C1 P04150 1/20 0.31
PGR P06401 1/20 0.31
NR3C2 P08235 1/20 0.31
AR P10275 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
SCHEMBL19629513 0.90 CHUK (0.39) CHUKMAP3K14TTBK1CA12CA1
SCHEMBL19626289 0.89 CHUK (0.41) CHUKMAP3K14TTBK1CA12CA1
SCHEMBL20193230 0.85 CHUK (0.61) CHUKMAP3K14
SCHEMBL19629478 0.84 CHUK (0.43) CHUKMAP3K14NR3C1PGRNR3C2
SCHEMBL19629501 0.81 LMNA (0.41) CA12CA1CA2CA9
SCHEMBL19626286 0.79 CHUK (0.38) CHUKMAP3K14TTBK1CA12CA1
SCHEMBL19629428 0.78 CHUK (0.43) CHUKMAP3K14
SCHEMBL19629495 0.77 CHUK (0.35) CHUK
SCHEMBL19629492 0.77 CHUK (0.45) CHUKMAP3K14TTBK1
SCHEMBL19629491 0.76 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 CHUK 32/4885MAP3K14 1/4885TTBK1 713/4885

“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.